1-(3-chlorophenyl)-3-cyclopentylpropan-2-one

C14H17ClO — CID 62504262

IUPAC1-(3-chlorophenyl)-3-cyclopentylpropan-2-one
SMILESO=C(Cc1cccc(Cl)c1)CC1CCCC1
InChIInChI=1S/C14H17ClO/c15-13-7-3-6-12(8-13)10-14(16)9-11-4-1-2-5-11/h3,6-8,11H,1-2,4-5,9-10H2
InChIKeyGTJCGMMKXAQJQL-UHFFFAOYSA-N
MW236.74 g/mol
LogP4.03
Rot. Bonds4

About 1-(3-chlorophenyl)-3-cyclopentylpropan-2-one

1-(3-chlorophenyl)-3-cyclopentylpropan-2-one (PubChem CID 62504262) has the molecular formula C14H17ClO and a molecular weight of 236.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-cyclopentylpropan-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-cyclopentylpropan-2-one
PubChem CID62504262
Molecular FormulaC14H17ClO
Molecular Weight236.74 g/mol
Exact Mass236.10
IUPAC Name1-(3-chlorophenyl)-3-cyclopentylpropan-2-one
SMILESO=C(Cc1cccc(Cl)c1)CC1CCCC1
InChIInChI=1S/C14H17ClO/c15-13-7-3-6-12(8-13)10-14(16)9-11-4-1-2-5-11/h3,6-8,11H,1-2,4-5,9-10H2
InChIKeyGTJCGMMKXAQJQL-UHFFFAOYSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one
CID 61077701
1-cycloheptyl-3-naphthalen-2-ylpropan-2-one
CID 114458055
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 62504081
1-cyclopentyl-3-[3-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]phenyl]propan-2-one
CID 145487823
1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea
CID 170579151
N-[(3-chlorocyclohexyl)methyl]-2-(3-chlorophenyl)acetamide
CID 106132016
2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64813756
N-tert-butyl-2-[(1R,5S)-3-[3-(3-chlorophenyl)-2-oxopropyl]-8-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 161164460
1-(4-aminophenyl)-3-cyclopentylpropan-2-one
CID 116549551
1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586557
N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 113274232
(Z)-4-(3-chlorophenyl)-3-cyclopropylbut-2-enoic acid
CID 82083749

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-cyclopentylpropan-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-cyclopentylpropan-2-one (CID 62504262) is 1-(3-chlorophenyl)-3-cyclopentylpropan-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-cyclopentylpropan-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-cyclopentylpropan-2-one is O=C(Cc1cccc(Cl)c1)CC1CCCC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-cyclopentylpropan-2-one?
The InChIKey is GTJCGMMKXAQJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO/c15-13-7-3-6-12(8-13)10-14(16)9-11-4-1-2-5-11/h3,6-8,11H,1-2,4-5,9-10H2.
What are the key properties of 1-(3-chlorophenyl)-3-cyclopentylpropan-2-one?
1-(3-chlorophenyl)-3-cyclopentylpropan-2-one has a molecular weight of 236.74 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-cyclopentylpropan-2-one is sourced from PubChem (CID 62504262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).