EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	1423UFT5P6
EPA CompTox	DTXSID3074783

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

1423UFT5P6

EPA CompTox

DTXSID3074783


InChI Key	KOCVACNWDMSLBM-UHFFFAOYSA-N
Smiles	CCOCc1ccc(O)c(OC)c1
InChI	InChI=1S/C10H14O3/c1-3-13-7-8-4-5-9(11)10(6-8)12-2/h4-6,11H,3,7H2,1-2H3

InChI Key

KOCVACNWDMSLBM-UHFFFAOYSA-N

Smiles

CCOCc1ccc(O)c(OC)c1

InChI

InChI=1S/C10H14O3/c1-3-13-7-8-4-5-9(11)10(6-8)12-2/h4-6,11H,3,7H2,1-2H3

Property Name	Value
Molecular Formula	C10H14O3
Molecular Weight	182.09
AlogP	1.94
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	38.69
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H14O3

Molecular Weight

182.09

AlogP

1.94

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

38.69

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	13184-86-6
NORMAN SUSDAT
FDA SRS	1423UFT5P6
PubChem	61586
ChemSpider	55496.0

Resources

Reference

CAS NUMBER

13184-86-6

NORMAN SUSDAT

FDA SRS

1423UFT5P6

PubChem

61586

ChemSpider

55496.0

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...

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Last update: Monday, 3 November 2025

PHENOL, 4-(ETHOXYMETHYL)-2-METHOXY-

Structure

Physicochemical Descriptors

Cross References