3-(hydroxymethyl)cyclohexa-1,5-dien-1-ol

C7H10O2 — CID 89416140

IUPAC3-(hydroxymethyl)cyclohexa-1,5-dien-1-ol
SMILESOCC1C=C(O)C=CC1
InChIInChI=1S/C7H10O2/c8-5-6-2-1-3-7(9)4-6/h1,3-4,6,8-9H,2,5H2
InChIKeyULFODKSQUPUTJS-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.00
Rot. Bonds1

About 3-(hydroxymethyl)cyclohexa-1,5-dien-1-ol

3-(hydroxymethyl)cyclohexa-1,5-dien-1-ol (PubChem CID 89416140) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 3-(hydroxymethyl)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)cyclohexa-1,5-dien-1-ol
PubChem CID89416140
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name3-(hydroxymethyl)cyclohexa-1,5-dien-1-ol
SMILESOCC1C=C(O)C=CC1
InChIInChI=1S/C7H10O2/c8-5-6-2-1-3-7(9)4-6/h1,3-4,6,8-9H,2,5H2
InChIKeyULFODKSQUPUTJS-UHFFFAOYSA-N
XLogP1.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(hydroxymethyl)cyclohexa-1,5-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 3-(hydroxymethyl)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 3-(hydroxymethyl)cyclohexa-1,5-dien-1-ol (CID 89416140) is 3-(hydroxymethyl)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 3-(hydroxymethyl)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 3-(hydroxymethyl)cyclohexa-1,5-dien-1-ol is OCC1C=C(O)C=CC1.
What is the InChIKey of 3-(hydroxymethyl)cyclohexa-1,5-dien-1-ol?
The InChIKey is ULFODKSQUPUTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-5-6-2-1-3-7(9)4-6/h1,3-4,6,8-9H,2,5H2.
What are the key properties of 3-(hydroxymethyl)cyclohexa-1,5-dien-1-ol?
3-(hydroxymethyl)cyclohexa-1,5-dien-1-ol has a molecular weight of 126.15 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 89416140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).