1-[1-(3,5-dichlorophenyl)cyclopropyl]ethanone

C11H10Cl2O — CID 117046845

IUPAC1-[1-(3,5-dichlorophenyl)cyclopropyl]ethanone
SMILESCC(=O)C1(c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C11H10Cl2O/c1-7(14)11(2-3-11)8-4-9(12)6-10(13)5-8/h4-6H,2-3H2,1H3
InChIKeyIIYGVAQIHWJWLQ-UHFFFAOYSA-N
MW229.11 g/mol
LogP3.61
Rot. Bonds2

About 1-[1-(3,5-dichlorophenyl)cyclopropyl]ethanone

1-[1-(3,5-dichlorophenyl)cyclopropyl]ethanone (PubChem CID 117046845) has the molecular formula C11H10Cl2O and a molecular weight of 229.11 g/mol. Its IUPAC name is 1-[1-(3,5-dichlorophenyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-(3,5-dichlorophenyl)cyclopropyl]ethanone
PubChem CID117046845
Molecular FormulaC11H10Cl2O
Molecular Weight229.11 g/mol
Exact Mass228.01
IUPAC Name1-[1-(3,5-dichlorophenyl)cyclopropyl]ethanone
SMILESCC(=O)C1(c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C11H10Cl2O/c1-7(14)11(2-3-11)8-4-9(12)6-10(13)5-8/h4-6H,2-3H2,1H3
InChIKeyIIYGVAQIHWJWLQ-UHFFFAOYSA-N
XLogP3.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,5-dichlorophenyl)pyrrolidine-3-carboxylic acid
CID 117050181
1-[1-(2,3-dihydro-1H-inden-5-yl)cyclopropyl]ethanone
CID 83686495
bis[1-(3-chlorophenyl)cyclopropyl]methanone
CID 141485401
1-(3-chloro-5-methylsulfonylphenyl)cyclobutane-1-carboxylic acid
CID 117466460
1-(3-chloro-5-ethylphenyl)cyclohexane-1-carboxylic acid
CID 117420839
1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone
CID 82283649
1-[1-(3-chlorophenyl)cyclobutyl]propane-1,2-dione
CID 122222520
1-[3-chloro-5-(cyclopropylmethoxy)phenyl]cyclopropane-1-carboxylic acid
CID 117420672
1-[1-(2-chloro-6-fluorophenyl)cyclopropyl]ethanone
CID 82284313
N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439128
1-[1-(3-phosphanylphenyl)cyclohexyl]ethanone
CID 144754940
N-[1-(3-chlorophenyl)cyclopropyl]-N-methylacetamide
CID 146152353

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dichlorophenyl)cyclopropyl]ethanone?
The IUPAC name of 1-[1-(3,5-dichlorophenyl)cyclopropyl]ethanone (CID 117046845) is 1-[1-(3,5-dichlorophenyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-(3,5-dichlorophenyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[1-(3,5-dichlorophenyl)cyclopropyl]ethanone is CC(=O)C1(c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-[1-(3,5-dichlorophenyl)cyclopropyl]ethanone?
The InChIKey is IIYGVAQIHWJWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O/c1-7(14)11(2-3-11)8-4-9(12)6-10(13)5-8/h4-6H,2-3H2,1H3.
What are the key properties of 1-[1-(3,5-dichlorophenyl)cyclopropyl]ethanone?
1-[1-(3,5-dichlorophenyl)cyclopropyl]ethanone has a molecular weight of 229.11 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dichlorophenyl)cyclopropyl]ethanone is sourced from PubChem (CID 117046845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).