1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol

C10H16O2 — CID 14263532

IUPAC1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C(C)C1C=CC(O)(CO)CC1
InChIInChI=1S/C10H16O2/c1-8(2)9-3-5-10(12,7-11)6-4-9/h3,5,9,11-12H,1,4,6-7H2,2H3
InChIKeyZENWKJRXARYCGC-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.25
Rot. Bonds2

About 1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol

1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol (PubChem CID 14263532) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol
PubChem CID14263532
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C(C)C1C=CC(O)(CO)CC1
InChIInChI=1S/C10H16O2/c1-8(2)9-3-5-10(12,7-11)6-4-9/h3,5,9,11-12H,1,4,6-7H2,2H3
InChIKeyZENWKJRXARYCGC-UHFFFAOYSA-N
XLogP1.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-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 1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol?
The IUPAC name of 1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol (CID 14263532) is 1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for 1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for 1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol is C=C(C)C1C=CC(O)(CO)CC1.
What is the InChIKey of 1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol?
The InChIKey is ZENWKJRXARYCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(2)9-3-5-10(12,7-11)6-4-9/h3,5,9,11-12H,1,4,6-7H2,2H3.
What are the key properties of 1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol?
1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 14263532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).