EcoDrugPlus


Synonyms	FEMA NO. 4620 NSC-1864 Phenoxethol Phenoxyethanol Phenyl cellosolve
Status
Molecule Category	Free-form
UNII	HIE492ZZ3T
EPA CompTox	DTXSID9021976

Synonyms

FEMA NO. 4620

NSC-1864

Phenoxethol

Phenoxyethanol

Phenyl cellosolve

Status

Molecule Category

Free-form

UNII

HIE492ZZ3T

EPA CompTox

DTXSID9021976


InChI Key	QCDWFXQBSFUVSP-UHFFFAOYSA-N
Smiles	OCCOc1ccccc1
InChI	InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2

InChI Key

QCDWFXQBSFUVSP-UHFFFAOYSA-N

Smiles

OCCOc1ccccc1

InChI

InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2

Property Name	Value
Molecular Formula	C8H10O2
Molecular Weight	138.17
AlogP	1.06
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	29.46
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C8H10O2

Molecular Weight

138.17

AlogP

1.06

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

29.46

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

10.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Staphylococcus aureus	-	-	-	-	25.1-42.3

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Staphylococcus aureus

25.1-42.3

Resources	Reference
ChEBI	64275
ChEMBL	CHEMBL1229846
DrugBank	DB11304
DrugCentral	3442
FDA SRS	HIE492ZZ3T
Human Metabolome Database	HMDB0041607
PDB	268
PubChem	31236
SureChEMBL	SCHEMBL15708
ZINC	ZINC000001577061

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

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

PHENOXYETHANOL

Structure

Physicochemical Descriptors

Pharmacology

Cross References