EcoDrugPlus


Synonyms	Phenethanol Phenethyl Alcohol Phenylethanol Phenylethyl Alcohol
Molecule Category	Free-form
UNII	ML9LGA7468
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Synonyms

Phenethanol

Phenethyl Alcohol

Phenylethanol

Phenylethyl Alcohol

Molecule Category

Free-form

UNII

ML9LGA7468

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	WRMNZCZEMHIOCP-UHFFFAOYSA-N
Smiles	OCCc1ccccc1
InChI	InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2

InChI Key

WRMNZCZEMHIOCP-UHFFFAOYSA-N

Smiles

OCCc1ccccc1

InChI

InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2

Property Name	Value
Molecular Formula	C8H10O
Molecular Weight	122.16
AlogP	1.55
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	20.23
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C8H10O

Molecular Weight

122.16

AlogP

1.55

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

20.23

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

9.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Colletotrichum gloeosporioides	8128305.16	-	-	-	-
Triticum aestivum	-	-	-	-	53-53

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Colletotrichum gloeosporioides

8128305.16

Triticum aestivum

53-53

Resources	Reference
ChEMBL	CHEMBL448500
FDA SRS	ML9LGA7468
PDB	PEL
PubChem	6054
SureChEMBL	SCHEMBL1838
ZINC	ZINC00895934

Resources

Reference

ChEMBL

FDA SRS

PDB

PubChem

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

PHENYLETHYL ALCOHOL

Structure

Physicochemical Descriptors

Pharmacology

Cross References