1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanone

C12H12Cl2O — CID 82293557

IUPAC1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanone
SMILESCC(=O)C1(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C12H12Cl2O/c1-8(15)12(4-5-12)7-9-2-3-10(13)6-11(9)14/h2-3,6H,4-5,7H2,1H3
InChIKeyVIXGCCLJGLGBAS-UHFFFAOYSA-N
MW243.13 g/mol
LogP3.91
Rot. Bonds3

About 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanone

1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanone (PubChem CID 82293557) has the molecular formula C12H12Cl2O and a molecular weight of 243.13 g/mol. Its IUPAC name is 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanone
PubChem CID82293557
Molecular FormulaC12H12Cl2O
Molecular Weight243.13 g/mol
Exact Mass242.03
IUPAC Name1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanone
SMILESCC(=O)C1(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C12H12Cl2O/c1-8(15)12(4-5-12)7-9-2-3-10(13)6-11(9)14/h2-3,6H,4-5,7H2,1H3
InChIKeyVIXGCCLJGLGBAS-UHFFFAOYSA-N
XLogP3.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 53.91
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
1-[1-[(4-chlorophenyl)methyl]cyclopropyl]ethanone
CID 14700145
3-[(2,4-dichlorophenyl)methyl]oxetane-3-carboxylic acid
CID 116930158
1-[(2,4-dichlorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65424709
1-[(2-chloro-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 106865439
1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanol
CID 106798312
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol
CID 66025200
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
3-[(2,4-dichlorophenyl)methyl]oxetan-3-ol
CID 164649438
1-[1-[(5-bromo-2-methylphenyl)methyl]cyclopropyl]ethanone
CID 130609745
3-[(2,4-dichlorophenyl)methyl]-4,4-dimethylthian-3-ol
CID 79955546
1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-ol
CID 65154379

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanone?
The IUPAC name of 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanone (CID 82293557) is 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanone is CC(=O)C1(Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanone?
The InChIKey is VIXGCCLJGLGBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O/c1-8(15)12(4-5-12)7-9-2-3-10(13)6-11(9)14/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanone?
1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanone has a molecular weight of 243.13 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanone is sourced from PubChem (CID 82293557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).