2-(2,4-dichlorophenyl)-1-(2-phenylcyclopropyl)ethanone

C17H14Cl2O — CID 116516992

IUPAC2-(2,4-dichlorophenyl)-1-(2-phenylcyclopropyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)C1CC1c1ccccc1
InChIInChI=1S/C17H14Cl2O/c18-13-7-6-12(16(19)9-13)8-17(20)15-10-14(15)11-4-2-1-3-5-11/h1-7,9,14-15H,8,10H2
InChIKeyMUJZQGNVXUVSDI-UHFFFAOYSA-N
MW305.20 g/mol
LogP4.91
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-1-(2-phenylcyclopropyl)ethanone

2-(2,4-dichlorophenyl)-1-(2-phenylcyclopropyl)ethanone (PubChem CID 116516992) has the molecular formula C17H14Cl2O and a molecular weight of 305.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(2-phenylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(2-phenylcyclopropyl)ethanone
PubChem CID116516992
Molecular FormulaC17H14Cl2O
Molecular Weight305.20 g/mol
Exact Mass304.04
IUPAC Name2-(2,4-dichlorophenyl)-1-(2-phenylcyclopropyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)C1CC1c1ccccc1
InChIInChI=1S/C17H14Cl2O/c18-13-7-6-12(16(19)9-13)8-17(20)15-10-14(15)11-4-2-1-3-5-11/h1-7,9,14-15H,8,10H2
InChIKeyMUJZQGNVXUVSDI-UHFFFAOYSA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
1-(2-adamantyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967204
2-(furan-2-yl)-1-(2-phenylcyclopropyl)ethanone
CID 115795569
(4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone
CID 116517023
2-(2,4-dichlorophenyl)-N-(4-phenylcyclohexyl)acetamide
CID 22076139
2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone
CID 159213870
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
2-[2-(2,4-dichlorophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83928405
2-(2,4-dichlorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone
CID 114097294
2-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylcyclopropyl)ethanone
CID 114974399
trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(2-phenylcyclopropyl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(2-phenylcyclopropyl)ethanone (CID 116516992) is 2-(2,4-dichlorophenyl)-1-(2-phenylcyclopropyl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(2-phenylcyclopropyl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(2-phenylcyclopropyl)ethanone is O=C(Cc1ccc(Cl)cc1Cl)C1CC1c1ccccc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(2-phenylcyclopropyl)ethanone?
The InChIKey is MUJZQGNVXUVSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O/c18-13-7-6-12(16(19)9-13)8-17(20)15-10-14(15)11-4-2-1-3-5-11/h1-7,9,14-15H,8,10H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(2-phenylcyclopropyl)ethanone?
2-(2,4-dichlorophenyl)-1-(2-phenylcyclopropyl)ethanone has a molecular weight of 305.20 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(2-phenylcyclopropyl)ethanone is sourced from PubChem (CID 116516992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).