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

C16H24O — CID 114191689

IUPAC4-cyclopentyl-2-(3-methylphenyl)butan-2-ol
SMILESCc1cccc(C(C)(O)CCC2CCCC2)c1
InChIInChI=1S/C16H24O/c1-13-6-5-9-15(12-13)16(2,17)11-10-14-7-3-4-8-14/h5-6,9,12,14,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyDYIMXLYTNVYZQW-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.17
Rot. Bonds4

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

4-cyclopentyl-2-(3-methylphenyl)butan-2-ol (PubChem CID 114191689) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-cyclopentyl-2-(3-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-cyclopentyl-2-(3-methylphenyl)butan-2-ol
PubChem CID114191689
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name4-cyclopentyl-2-(3-methylphenyl)butan-2-ol
SMILESCc1cccc(C(C)(O)CCC2CCCC2)c1
InChIInChI=1S/C16H24O/c1-13-6-5-9-15(12-13)16(2,17)11-10-14-7-3-4-8-14/h5-6,9,12,14,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyDYIMXLYTNVYZQW-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(2R)-2-(3-methylphenyl)propane-1,2-diol
CID 56926487
4-cyclopentyl-2-(4-methoxyphenyl)butan-2-ol
CID 114191696
1,2-bis(3-methylphenyl)propan-2-ol
CID 60798209
2-(aminomethyl)-3-cyclopentyl-2-(3-methylphenyl)propan-1-ol
CID 106507357
N-(2-cyclohexylethyl)-3-methylaniline
CID 20699944
2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid
CID 114989635
N-(cyclooctylmethyl)-3-methylaniline
CID 114207672
2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol
CID 61310488
1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155141493

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(3-methylphenyl)butan-2-ol?
The IUPAC name of 4-cyclopentyl-2-(3-methylphenyl)butan-2-ol (CID 114191689) is 4-cyclopentyl-2-(3-methylphenyl)butan-2-ol.
What is the SMILES notation for 4-cyclopentyl-2-(3-methylphenyl)butan-2-ol?
The canonical SMILES for 4-cyclopentyl-2-(3-methylphenyl)butan-2-ol is Cc1cccc(C(C)(O)CCC2CCCC2)c1.
What is the InChIKey of 4-cyclopentyl-2-(3-methylphenyl)butan-2-ol?
The InChIKey is DYIMXLYTNVYZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-13-6-5-9-15(12-13)16(2,17)11-10-14-7-3-4-8-14/h5-6,9,12,14,17H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 4-cyclopentyl-2-(3-methylphenyl)butan-2-ol?
4-cyclopentyl-2-(3-methylphenyl)butan-2-ol has a molecular weight of 232.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(3-methylphenyl)butan-2-ol is sourced from PubChem (CID 114191689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).