4-cyclopentyl-1-(3-methylphenyl)butan-2-ol

C16H24O — CID 55149919

IUPAC4-cyclopentyl-1-(3-methylphenyl)butan-2-ol
SMILESCc1cccc(CC(O)CCC2CCCC2)c1
InChIInChI=1S/C16H24O/c1-13-5-4-8-15(11-13)12-16(17)10-9-14-6-2-3-7-14/h4-5,8,11,14,16-17H,2-3,6-7,9-10,12H2,1H3
InChIKeyPOYDCWNIBHDHPT-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.87
Rot. Bonds5

About 4-cyclopentyl-1-(3-methylphenyl)butan-2-ol

4-cyclopentyl-1-(3-methylphenyl)butan-2-ol (PubChem CID 55149919) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-cyclopentyl-1-(3-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-cyclopentyl-1-(3-methylphenyl)butan-2-ol
PubChem CID55149919
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name4-cyclopentyl-1-(3-methylphenyl)butan-2-ol
SMILESCc1cccc(CC(O)CCC2CCCC2)c1
InChIInChI=1S/C16H24O/c1-13-5-4-8-15(11-13)12-16(17)10-9-14-6-2-3-7-14/h4-5,8,11,14,16-17H,2-3,6-7,9-10,12H2,1H3
InChIKeyPOYDCWNIBHDHPT-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-cyclohexyl-1-(3,5-dimethylphenyl)butan-2-ol
CID 114980328
(2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol
CID 161303338
1-cyclohexyl-2-(3-methylphenyl)ethanol
CID 60798994
5-chloro-1-(3-methylphenyl)pentan-2-ol
CID 66043960
1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol
CID 103043661
1-cyclopentyl-3-[(3-methylphenyl)methylsulfanyl]propan-2-ol
CID 103160784
4-(3-methylphenyl)-1-phenylbutan-2-ol
CID 63016612
1-(2-ethylcyclohexyl)-2-(3-methylphenyl)ethanol
CID 63863084
N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine
CID 63450215
1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol
CID 63520342
1-cyclopentyl-3-(3,5-dimethylphenyl)propan-2-ol
CID 62607509
2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65424884

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-(3-methylphenyl)butan-2-ol?
The IUPAC name of 4-cyclopentyl-1-(3-methylphenyl)butan-2-ol (CID 55149919) is 4-cyclopentyl-1-(3-methylphenyl)butan-2-ol.
What is the SMILES notation for 4-cyclopentyl-1-(3-methylphenyl)butan-2-ol?
The canonical SMILES for 4-cyclopentyl-1-(3-methylphenyl)butan-2-ol is Cc1cccc(CC(O)CCC2CCCC2)c1.
What is the InChIKey of 4-cyclopentyl-1-(3-methylphenyl)butan-2-ol?
The InChIKey is POYDCWNIBHDHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-13-5-4-8-15(11-13)12-16(17)10-9-14-6-2-3-7-14/h4-5,8,11,14,16-17H,2-3,6-7,9-10,12H2,1H3.
What are the key properties of 4-cyclopentyl-1-(3-methylphenyl)butan-2-ol?
4-cyclopentyl-1-(3-methylphenyl)butan-2-ol has a molecular weight of 232.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-(3-methylphenyl)butan-2-ol is sourced from PubChem (CID 55149919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).