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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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).