EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	N7GFX492KL
EPA CompTox	DTXSID80870687

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

N7GFX492KL

EPA CompTox

DTXSID80870687


InChI Key	GMDYDZMQHRTHJA-UHFFFAOYSA-N
Smiles	OC(C=1C=CC=CC1)C(C)C
InChI	InChI=1/C10H14O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3

InChI Key

GMDYDZMQHRTHJA-UHFFFAOYSA-N

Smiles

OC(C=1C=CC=CC1)C(C)C

InChI

InChI=1/C10H14O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3

Property Name	Value
Molecular Formula	C10H14O
Molecular Weight	150.1
AlogP	2.38
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	20.23
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C10H14O

Molecular Weight

150.1

AlogP

2.38

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

20.23

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	611-69-8
NORMAN SUSDAT
FDA SRS	N7GFX492KL
PubChem	95626

Resources

Reference

CAS NUMBER

611-69-8

NORMAN SUSDAT

FDA SRS

N7GFX492KL

PubChem

95626

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

2-METHYL-1-PHENYLPROPAN-1-OL

Structure

Physicochemical Descriptors

Cross References