2-[4-(4-pentylphenyl)cyclohexyl]propane-1,3-diol

C20H32O2 — CID 134244308

IUPAC2-[4-(4-pentylphenyl)cyclohexyl]propane-1,3-diol
SMILESCCCCCc1ccc(C2CCC(C(CO)CO)CC2)cc1
InChIInChI=1S/C20H32O2/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20(14-21)15-22/h6-9,18-22H,2-5,10-15H2,1H3
InChIKeyGZYGNGYCXIFRGJ-UHFFFAOYSA-N
MW304.47 g/mol
LogP4.29
Rot. Bonds8

About 2-[4-(4-pentylphenyl)cyclohexyl]propane-1,3-diol

2-[4-(4-pentylphenyl)cyclohexyl]propane-1,3-diol (PubChem CID 134244308) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 2-[4-(4-pentylphenyl)cyclohexyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[4-(4-pentylphenyl)cyclohexyl]propane-1,3-diol
PubChem CID134244308
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name2-[4-(4-pentylphenyl)cyclohexyl]propane-1,3-diol
SMILESCCCCCc1ccc(C2CCC(C(CO)CO)CC2)cc1
InChIInChI=1S/C20H32O2/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20(14-21)15-22/h6-9,18-22H,2-5,10-15H2,1H3
InChIKeyGZYGNGYCXIFRGJ-UHFFFAOYSA-N
XLogP4.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylcyclohexyl)-4-pentylbenzene
CID 20683439
1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 59931186
1-(4-ethylcyclohexyl)-4-nonylbenzene
CID 20683410
1-(4-fluorocyclohexyl)-4-heptylbenzene
CID 22123877
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
4-[4-(4-pentylphenyl)cyclohexyl]benzoyl chloride
CID 21318438
1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene
CID 22123952
1-heptyl-4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]benzene
CID 20538933
3-[4-[hydroxy-[4-(4-pentylphenyl)cyclohexyl]methyl]cyclohexyl]prop-2-enenitrile
CID 57211449
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
2-(methoxymethyl)-5-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]pentan-1-ol
CID 142282850
dimethyl-[4-(4-octylphenyl)cyclohexyl]-propan-2-ylazanium
CID 57399303

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-pentylphenyl)cyclohexyl]propane-1,3-diol?
The IUPAC name of 2-[4-(4-pentylphenyl)cyclohexyl]propane-1,3-diol (CID 134244308) is 2-[4-(4-pentylphenyl)cyclohexyl]propane-1,3-diol.
What is the SMILES notation for 2-[4-(4-pentylphenyl)cyclohexyl]propane-1,3-diol?
The canonical SMILES for 2-[4-(4-pentylphenyl)cyclohexyl]propane-1,3-diol is CCCCCc1ccc(C2CCC(C(CO)CO)CC2)cc1.
What is the InChIKey of 2-[4-(4-pentylphenyl)cyclohexyl]propane-1,3-diol?
The InChIKey is GZYGNGYCXIFRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20(14-21)15-22/h6-9,18-22H,2-5,10-15H2,1H3.
What are the key properties of 2-[4-(4-pentylphenyl)cyclohexyl]propane-1,3-diol?
2-[4-(4-pentylphenyl)cyclohexyl]propane-1,3-diol has a molecular weight of 304.47 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-pentylphenyl)cyclohexyl]propane-1,3-diol is sourced from PubChem (CID 134244308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).