2-cyclopentyl-1-(4-hydroxyphenyl)butan-1-one

C15H20O2 — CID 13175265

IUPAC2-cyclopentyl-1-(4-hydroxyphenyl)butan-1-one
SMILESCCC(C(=O)c1ccc(O)cc1)C1CCCC1
InChIInChI=1S/C15H20O2/c1-2-14(11-5-3-4-6-11)15(17)12-7-9-13(16)10-8-12/h7-11,14,16H,2-6H2,1H3
InChIKeyFYAPUFMIRQSFCT-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.79
Rot. Bonds4

About 2-cyclopentyl-1-(4-hydroxyphenyl)butan-1-one

2-cyclopentyl-1-(4-hydroxyphenyl)butan-1-one (PubChem CID 13175265) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-cyclopentyl-1-(4-hydroxyphenyl)butan-1-one.

Molecular Properties

Compound Name2-cyclopentyl-1-(4-hydroxyphenyl)butan-1-one
PubChem CID13175265
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-cyclopentyl-1-(4-hydroxyphenyl)butan-1-one
SMILESCCC(C(=O)c1ccc(O)cc1)C1CCCC1
InChIInChI=1S/C15H20O2/c1-2-14(11-5-3-4-6-11)15(17)12-7-9-13(16)10-8-12/h7-11,14,16H,2-6H2,1H3
InChIKeyFYAPUFMIRQSFCT-UHFFFAOYSA-N
XLogP3.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-methoxycyclohexyl)-1-(4-methoxyphenyl)butan-1-one
CID 6993745
2-cycloheptylbutanoic acid
CID 79007061
2-amino-1-(4-hydroxyphenyl)butan-1-one;hydrochloride
CID 86601556
CID 173256646
CID 173256646
4-cyclohexylhexan-3-one
CID 121006778
2-(ethylamino)-1-(4-hydroxyphenyl)butan-1-one
CID 141149371
4-[1-(1-cyclohexylpropylamino)ethyl]phenol
CID 62407507
1-(4-tert-butylphenyl)-2-cyclohexyl-2-hydroxyethanone
CID 103457627
ethyl 2-cyclohexyl-3-(4-methylphenyl)-3-oxopropanoate
CID 23650263
(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
4-[4-(2,2-dicyclohexylacetyl)phenyl]benzoic acid
CID 10453896
2-cyclohexyl-N-methylbutanamide;hydrochloride
CID 174608918

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(4-hydroxyphenyl)butan-1-one?
The IUPAC name of 2-cyclopentyl-1-(4-hydroxyphenyl)butan-1-one (CID 13175265) is 2-cyclopentyl-1-(4-hydroxyphenyl)butan-1-one.
What is the SMILES notation for 2-cyclopentyl-1-(4-hydroxyphenyl)butan-1-one?
The canonical SMILES for 2-cyclopentyl-1-(4-hydroxyphenyl)butan-1-one is CCC(C(=O)c1ccc(O)cc1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-(4-hydroxyphenyl)butan-1-one?
The InChIKey is FYAPUFMIRQSFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-14(11-5-3-4-6-11)15(17)12-7-9-13(16)10-8-12/h7-11,14,16H,2-6H2,1H3.
What are the key properties of 2-cyclopentyl-1-(4-hydroxyphenyl)butan-1-one?
2-cyclopentyl-1-(4-hydroxyphenyl)butan-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(4-hydroxyphenyl)butan-1-one is sourced from PubChem (CID 13175265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).