3-[(3-hydroxycyclohexyl)-propylphosphanyl]cyclohexan-1-ol

C15H29O2P — CID 70121250

IUPAC3-[(3-hydroxycyclohexyl)-propylphosphanyl]cyclohexan-1-ol
SMILESCCCP(C1CCCC(O)C1)C1CCCC(O)C1
InChIInChI=1S/C15H29O2P/c1-2-9-18(14-7-3-5-12(16)10-14)15-8-4-6-13(17)11-15/h12-17H,2-11H2,1H3
InChIKeyXZZQVRPEKCKYIW-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.49
Rot. Bonds4

About 3-[(3-hydroxycyclohexyl)-propylphosphanyl]cyclohexan-1-ol

3-[(3-hydroxycyclohexyl)-propylphosphanyl]cyclohexan-1-ol (PubChem CID 70121250) has the molecular formula C15H29O2P and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-[(3-hydroxycyclohexyl)-propylphosphanyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(3-hydroxycyclohexyl)-propylphosphanyl]cyclohexan-1-ol
PubChem CID70121250
Molecular FormulaC15H29O2P
Molecular Weight272.37 g/mol
Exact Mass272.19
IUPAC Name3-[(3-hydroxycyclohexyl)-propylphosphanyl]cyclohexan-1-ol
SMILESCCCP(C1CCCC(O)C1)C1CCCC(O)C1
InChIInChI=1S/C15H29O2P/c1-2-9-18(14-7-3-5-12(16)10-14)15-8-4-6-13(17)11-15/h12-17H,2-11H2,1H3
InChIKeyXZZQVRPEKCKYIW-UHFFFAOYSA-N
XLogP3.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(3-hydroxycyclohexyl)-propylphosphanyl]cyclohexan-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

di(cyclobutyl)-octylphosphane
CID 151646814
trans-(1R,3R)-cyclohexane-1,3-diol
CID 6950744
cis-(1R,3S)-cyclohexane-1,3-diol
CID 6432741
3-heptylcyclohexan-1-ol
CID 64515801
cyclopentyl(dipropyl)phosphane
CID 14322919
potassium cyclohexane-1,3-diol
CID 22067166
cis-(1S,3R)-cyclohexane-1,3-diol;copper
CID 68514238
3-tetradecoxycyclohexan-1-ol
CID 173215393
3-[methyl(2-methylbutan-2-yl)amino]cyclohexan-1-ol
CID 79619328
3-(1-hydroxypropyl)cyclohexan-1-ol
CID 58193370
cyclopentyl-[[cyclopentyl(propyl)phosphanyl]methyl]-propylphosphane;dihydrobromide
CID 173222488
5-ethylcyclooctan-1-ol
CID 19931411

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxycyclohexyl)-propylphosphanyl]cyclohexan-1-ol?
The IUPAC name of 3-[(3-hydroxycyclohexyl)-propylphosphanyl]cyclohexan-1-ol (CID 70121250) is 3-[(3-hydroxycyclohexyl)-propylphosphanyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(3-hydroxycyclohexyl)-propylphosphanyl]cyclohexan-1-ol?
The canonical SMILES for 3-[(3-hydroxycyclohexyl)-propylphosphanyl]cyclohexan-1-ol is CCCP(C1CCCC(O)C1)C1CCCC(O)C1.
What is the InChIKey of 3-[(3-hydroxycyclohexyl)-propylphosphanyl]cyclohexan-1-ol?
The InChIKey is XZZQVRPEKCKYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29O2P/c1-2-9-18(14-7-3-5-12(16)10-14)15-8-4-6-13(17)11-15/h12-17H,2-11H2,1H3.
What are the key properties of 3-[(3-hydroxycyclohexyl)-propylphosphanyl]cyclohexan-1-ol?
3-[(3-hydroxycyclohexyl)-propylphosphanyl]cyclohexan-1-ol has a molecular weight of 272.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxycyclohexyl)-propylphosphanyl]cyclohexan-1-ol is sourced from PubChem (CID 70121250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).