2-(3-hydroxypropyl)-4-propylcyclohexan-1-ol

C12H24O2 — CID 79422814

IUPAC2-(3-hydroxypropyl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CCCO)C1
InChIInChI=1S/C12H24O2/c1-2-4-10-6-7-12(14)11(9-10)5-3-8-13/h10-14H,2-9H2,1H3
InChIKeyMPMZIZVQSILOLA-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.34
Rot. Bonds5

About 2-(3-hydroxypropyl)-4-propylcyclohexan-1-ol

2-(3-hydroxypropyl)-4-propylcyclohexan-1-ol (PubChem CID 79422814) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-4-propylcyclohexan-1-ol
PubChem CID79422814
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-(3-hydroxypropyl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CCCO)C1
InChIInChI=1S/C12H24O2/c1-2-4-10-6-7-12(14)11(9-10)5-3-8-13/h10-14H,2-9H2,1H3
InChIKeyMPMZIZVQSILOLA-UHFFFAOYSA-N
XLogP2.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-hydroxypropyl)-4-propylcyclohexan-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 2-(3-hydroxypropyl)-4-propylcyclohexan-1-ol?
The IUPAC name of 2-(3-hydroxypropyl)-4-propylcyclohexan-1-ol (CID 79422814) is 2-(3-hydroxypropyl)-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-(3-hydroxypropyl)-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-(3-hydroxypropyl)-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CCCO)C1.
What is the InChIKey of 2-(3-hydroxypropyl)-4-propylcyclohexan-1-ol?
The InChIKey is MPMZIZVQSILOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-2-4-10-6-7-12(14)11(9-10)5-3-8-13/h10-14H,2-9H2,1H3.
What are the key properties of 2-(3-hydroxypropyl)-4-propylcyclohexan-1-ol?
2-(3-hydroxypropyl)-4-propylcyclohexan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-4-propylcyclohexan-1-ol is sourced from PubChem (CID 79422814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).