1-[1-[(4-chlorophenyl)methyl]cyclopropyl]ethanone

C12H13ClO — CID 14700145

IUPAC1-[1-[(4-chlorophenyl)methyl]cyclopropyl]ethanone
SMILESCC(=O)C1(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H13ClO/c1-9(14)12(6-7-12)8-10-2-4-11(13)5-3-10/h2-5H,6-8H2,1H3
InChIKeyGOWKHWWLCQGSAA-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.25
Rot. Bonds3

About 1-[1-[(4-chlorophenyl)methyl]cyclopropyl]ethanone

1-[1-[(4-chlorophenyl)methyl]cyclopropyl]ethanone (PubChem CID 14700145) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]cyclopropyl]ethanone
PubChem CID14700145
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name1-[1-[(4-chlorophenyl)methyl]cyclopropyl]ethanone
SMILESCC(=O)C1(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H13ClO/c1-9(14)12(6-7-12)8-10-2-4-11(13)5-3-10/h2-5H,6-8H2,1H3
InChIKeyGOWKHWWLCQGSAA-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-[(4-chloro-2-fluorophenyl)methyl]cyclopropyl]ethanone
CID 106797011
methyl 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate
CID 71158967
1-chloro-4-[(1-methylcyclopropyl)methyl]benzene
CID 134855306
1-[(4-chlorophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65425479
1-[(4-chlorophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)cyclopentane-1-carboxamide
CID 86789978
1-[(4-chlorophenyl)methyl]-3-ethylcyclohexane-1-carboxylic acid
CID 65402506
1-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 123851701
1-[(4-chloro-3-methylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 165484489
1-[[[2-(4-chlorophenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311997
1-[(4-chlorophenyl)methyl]-3,3-dimethylcyclopentan-1-ol
CID 80699934
1-benzylcyclopropane-1-carboxylic acid
CID 562561
1-[1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropyl]ethanone
CID 95448950

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]cyclopropyl]ethanone?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]cyclopropyl]ethanone (CID 14700145) is 1-[1-[(4-chlorophenyl)methyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]cyclopropyl]ethanone is CC(=O)C1(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]cyclopropyl]ethanone?
The InChIKey is GOWKHWWLCQGSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO/c1-9(14)12(6-7-12)8-10-2-4-11(13)5-3-10/h2-5H,6-8H2,1H3.
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]cyclopropyl]ethanone?
1-[1-[(4-chlorophenyl)methyl]cyclopropyl]ethanone has a molecular weight of 208.69 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]cyclopropyl]ethanone is sourced from PubChem (CID 14700145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).