1-[4-(1-cyclopentylethyl)phenyl]ethanone

C15H20O — CID 115029782

IUPAC1-[4-(1-cyclopentylethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(C)C2CCCC2)cc1
InChIInChI=1S/C15H20O/c1-11(13-5-3-4-6-13)14-7-9-15(10-8-14)12(2)16/h7-11,13H,3-6H2,1-2H3
InChIKeyDMMYHYQVSAEBEH-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.18
Rot. Bonds3

About 1-[4-(1-cyclopentylethyl)phenyl]ethanone

1-[4-(1-cyclopentylethyl)phenyl]ethanone (PubChem CID 115029782) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-[4-(1-cyclopentylethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1-cyclopentylethyl)phenyl]ethanone
PubChem CID115029782
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-[4-(1-cyclopentylethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(C)C2CCCC2)cc1
InChIInChI=1S/C15H20O/c1-11(13-5-3-4-6-13)14-7-9-15(10-8-14)12(2)16/h7-11,13H,3-6H2,1-2H3
InChIKeyDMMYHYQVSAEBEH-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S)-1-cyclopentylethyl]benzene
CID 102346711
4-(1-cyclohexylethyl)benzenesulfonic acid
CID 172833290
4-[1-(oxan-4-yl)ethyl]benzoic acid
CID 115040159
1-[4-(1-cyclohexylethyl)-3,5-dimethylphenyl]ethanone
CID 69053490
ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063
1-[4-[4-(difluoromethyl)phenyl]phenyl]ethanone
CID 22760371
1-[4-(1-aminoethyl)phenyl]ethanone
CID 45086260
1-cyclobutylethylbenzene
CID 22024745
1-[4-[fluoro(pyrrolidin-3-yl)methyl]phenyl]ethanone
CID 115032643
2-cyclohexyl-2-hydroxy-1-(4-propan-2-ylphenyl)ethanone
CID 103457516
[4-(1-cycloheptylethyl)phenyl]methanamine
CID 115038542
1-[4-(dihydroxymethyl)phenyl]ethanone
CID 66714715

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-cyclopentylethyl)phenyl]ethanone?
The IUPAC name of 1-[4-(1-cyclopentylethyl)phenyl]ethanone (CID 115029782) is 1-[4-(1-cyclopentylethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1-cyclopentylethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(1-cyclopentylethyl)phenyl]ethanone is CC(=O)c1ccc(C(C)C2CCCC2)cc1.
What is the InChIKey of 1-[4-(1-cyclopentylethyl)phenyl]ethanone?
The InChIKey is DMMYHYQVSAEBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-11(13-5-3-4-6-13)14-7-9-15(10-8-14)12(2)16/h7-11,13H,3-6H2,1-2H3.
What are the key properties of 1-[4-(1-cyclopentylethyl)phenyl]ethanone?
1-[4-(1-cyclopentylethyl)phenyl]ethanone has a molecular weight of 216.32 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-cyclopentylethyl)phenyl]ethanone is sourced from PubChem (CID 115029782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).