1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone

C11H10Cl2O — CID 43150273

IUPAC1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
SMILESCC(=O)C1CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2O/c1-6(14)8-5-9(8)7-2-3-10(12)11(13)4-7/h2-4,8-9H,5H2,1H3
InChIKeyNTXNLKBLSJSPQH-UHFFFAOYSA-N
MW229.11 g/mol
LogP3.69
Rot. Bonds2

About 1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone

1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone (PubChem CID 43150273) has the molecular formula C11H10Cl2O and a molecular weight of 229.11 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
PubChem CID43150273
Molecular FormulaC11H10Cl2O
Molecular Weight229.11 g/mol
Exact Mass228.01
IUPAC Name1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
SMILESCC(=O)C1CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2O/c1-6(14)8-5-9(8)7-2-3-10(12)11(13)4-7/h2-4,8-9H,5H2,1H3
InChIKeyNTXNLKBLSJSPQH-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone (CID 43150273) is 1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone is CC(=O)C1CC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone?
The InChIKey is NTXNLKBLSJSPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O/c1-6(14)8-5-9(8)7-2-3-10(12)11(13)4-7/h2-4,8-9H,5H2,1H3.
What are the key properties of 1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone?
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone has a molecular weight of 229.11 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone is sourced from PubChem (CID 43150273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).