4-(2-hydroxypropyl)cyclohex-3-en-1-ol

C9H16O2 — CID 85404808

IUPAC4-(2-hydroxypropyl)cyclohex-3-en-1-ol
SMILESCC(O)CC1=CCC(O)CC1
InChIInChI=1S/C9H16O2/c1-7(10)6-8-2-4-9(11)5-3-8/h2,7,9-11H,3-6H2,1H3
InChIKeyWGTGKLSXGOSPNV-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.23
Rot. Bonds2

About 4-(2-hydroxypropyl)cyclohex-3-en-1-ol

4-(2-hydroxypropyl)cyclohex-3-en-1-ol (PubChem CID 85404808) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-(2-hydroxypropyl)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name4-(2-hydroxypropyl)cyclohex-3-en-1-ol
PubChem CID85404808
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name4-(2-hydroxypropyl)cyclohex-3-en-1-ol
SMILESCC(O)CC1=CCC(O)CC1
InChIInChI=1S/C9H16O2/c1-7(10)6-8-2-4-9(11)5-3-8/h2,7,9-11H,3-6H2,1H3
InChIKeyWGTGKLSXGOSPNV-UHFFFAOYSA-N
XLogP1.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-hydroxypropyl)cyclohex-3-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

Related Compounds

4-(hydroxymethyl)cyclohex-3-en-1-ol
CID 130125298
4-ethylcyclohept-4-en-1-ol
CID 91248239
(1R)-4-ethenylcyclohex-3-en-1-ol
CID 100956692
(1R)-4-methoxycyclohex-3-en-1-ol
CID 86316817
1-[(1S)-4-(2-methylpropyl)cyclohex-3-en-1-yl]pyrrolidine
CID 139394865
1-cyclohexa-1,3-dien-1-ylpropan-2-ol
CID 14937169
(2R)-1-(5-ethylcyclohexa-1,4-dien-1-yl)propan-2-ol
CID 10103520
[(4R)-4-hydroxycyclohexen-1-yl]boronic acid
CID 124635727
1-[4-[2-(1,3-dioxolan-2-yl)propyl]cyclohex-3-en-1-yl]-2-methylpropan-2-ol
CID 155166911
4-hydroxycyclohexene-1-carboxylic acid
CID 45116548
(3Z)-4-methylcyclooct-3-en-1-ol
CID 23092761
2-methyl-3-(4-propylcyclohexen-1-yl)propanal
CID 150601403

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropyl)cyclohex-3-en-1-ol?
The IUPAC name of 4-(2-hydroxypropyl)cyclohex-3-en-1-ol (CID 85404808) is 4-(2-hydroxypropyl)cyclohex-3-en-1-ol.
What is the SMILES notation for 4-(2-hydroxypropyl)cyclohex-3-en-1-ol?
The canonical SMILES for 4-(2-hydroxypropyl)cyclohex-3-en-1-ol is CC(O)CC1=CCC(O)CC1.
What is the InChIKey of 4-(2-hydroxypropyl)cyclohex-3-en-1-ol?
The InChIKey is WGTGKLSXGOSPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(10)6-8-2-4-9(11)5-3-8/h2,7,9-11H,3-6H2,1H3.
What are the key properties of 4-(2-hydroxypropyl)cyclohex-3-en-1-ol?
4-(2-hydroxypropyl)cyclohex-3-en-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropyl)cyclohex-3-en-1-ol is sourced from PubChem (CID 85404808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).