6-(hydroxymethyl)-6-phenylcyclohexa-2,4-dien-1-ol

C13H14O2 — CID 151601541

IUPAC6-(hydroxymethyl)-6-phenylcyclohexa-2,4-dien-1-ol
SMILESOCC1(c2ccccc2)C=CC=CC1O
InChIInChI=1S/C13H14O2/c14-10-13(9-5-4-8-12(13)15)11-6-2-1-3-7-11/h1-9,12,14-15H,10H2
InChIKeyQKPAYUMWXCYZQD-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.40
Rot. Bonds2

About 6-(hydroxymethyl)-6-phenylcyclohexa-2,4-dien-1-ol

6-(hydroxymethyl)-6-phenylcyclohexa-2,4-dien-1-ol (PubChem CID 151601541) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 6-(hydroxymethyl)-6-phenylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-(hydroxymethyl)-6-phenylcyclohexa-2,4-dien-1-ol
PubChem CID151601541
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name6-(hydroxymethyl)-6-phenylcyclohexa-2,4-dien-1-ol
SMILESOCC1(c2ccccc2)C=CC=CC1O
InChIInChI=1S/C13H14O2/c14-10-13(9-5-4-8-12(13)15)11-6-2-1-3-7-11/h1-9,12,14-15H,10H2
InChIKeyQKPAYUMWXCYZQD-UHFFFAOYSA-N
XLogP1.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(hydroxymethyl)-6-phenylcyclohexa-2,4-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-6-phenylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-(hydroxymethyl)-6-phenylcyclohexa-2,4-dien-1-ol (CID 151601541) is 6-(hydroxymethyl)-6-phenylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-(hydroxymethyl)-6-phenylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-(hydroxymethyl)-6-phenylcyclohexa-2,4-dien-1-ol is OCC1(c2ccccc2)C=CC=CC1O.
What is the InChIKey of 6-(hydroxymethyl)-6-phenylcyclohexa-2,4-dien-1-ol?
The InChIKey is QKPAYUMWXCYZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c14-10-13(9-5-4-8-12(13)15)11-6-2-1-3-7-11/h1-9,12,14-15H,10H2.
What are the key properties of 6-(hydroxymethyl)-6-phenylcyclohexa-2,4-dien-1-ol?
6-(hydroxymethyl)-6-phenylcyclohexa-2,4-dien-1-ol has a molecular weight of 202.25 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-6-phenylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 151601541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).