4-[2-(cyclopentylmethyl)butyl]phenol

C16H24O — CID 57064964

IUPAC4-[2-(cyclopentylmethyl)butyl]phenol
SMILESCCC(Cc1ccc(O)cc1)CC1CCCC1
InChIInChI=1S/C16H24O/c1-2-13(11-14-5-3-4-6-14)12-15-7-9-16(17)10-8-15/h7-10,13-14,17H,2-6,11-12H2,1H3
InChIKeyJKPARSYVHXKLRH-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.54
Rot. Bonds5

About 4-[2-(cyclopentylmethyl)butyl]phenol

4-[2-(cyclopentylmethyl)butyl]phenol (PubChem CID 57064964) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-[2-(cyclopentylmethyl)butyl]phenol.

Molecular Properties

Compound Name4-[2-(cyclopentylmethyl)butyl]phenol
PubChem CID57064964
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name4-[2-(cyclopentylmethyl)butyl]phenol
SMILESCCC(Cc1ccc(O)cc1)CC1CCCC1
InChIInChI=1S/C16H24O/c1-2-13(11-14-5-3-4-6-14)12-15-7-9-16(17)10-8-15/h7-10,13-14,17H,2-6,11-12H2,1H3
InChIKeyJKPARSYVHXKLRH-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 66060213
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CID 175252899
1-[2-(bromomethyl)-3-cyclopentylpropyl]-4-methoxybenzene
CID 66042501
4-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]phenol
CID 57234635
2-(cyclopentylmethyl)-3-(4-methoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 63523515
4-[2-cyclobutyl-2-(4-hydroxyphenyl)ethyl]phenol
CID 151360371
(2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide
CID 104871348
4-[2-[methyl-(2-methylcyclohexyl)amino]propyl]phenol
CID 82985701
1-cyclohexyl-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 115802880
4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol
CID 115496095
4-[2-(cyclobutylamino)propyl]phenol
CID 115494316
4-(2-butylheptyl)phenol
CID 118370129

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopentylmethyl)butyl]phenol?
The IUPAC name of 4-[2-(cyclopentylmethyl)butyl]phenol (CID 57064964) is 4-[2-(cyclopentylmethyl)butyl]phenol.
What is the SMILES notation for 4-[2-(cyclopentylmethyl)butyl]phenol?
The canonical SMILES for 4-[2-(cyclopentylmethyl)butyl]phenol is CCC(Cc1ccc(O)cc1)CC1CCCC1.
What is the InChIKey of 4-[2-(cyclopentylmethyl)butyl]phenol?
The InChIKey is JKPARSYVHXKLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-2-13(11-14-5-3-4-6-14)12-15-7-9-16(17)10-8-15/h7-10,13-14,17H,2-6,11-12H2,1H3.
What are the key properties of 4-[2-(cyclopentylmethyl)butyl]phenol?
4-[2-(cyclopentylmethyl)butyl]phenol has a molecular weight of 232.37 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopentylmethyl)butyl]phenol is sourced from PubChem (CID 57064964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).