(4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone

C17H15ClO2 — CID 14939961

IUPAC(4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone
SMILESCOc1ccc(C2CC2C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClO2/c1-20-14-8-4-11(5-9-14)15-10-16(15)17(19)12-2-6-13(18)7-3-12/h2-9,15-16H,10H2,1H3
InChIKeyHUXLJGRLILEMKS-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.34
Rot. Bonds4

About (4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone

(4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone (PubChem CID 14939961) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone
PubChem CID14939961
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name(4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone
SMILESCOc1ccc(C2CC2C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClO2/c1-20-14-8-4-11(5-9-14)15-10-16(15)17(19)12-2-6-13(18)7-3-12/h2-9,15-16H,10H2,1H3
InChIKeyHUXLJGRLILEMKS-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-(3-methoxyphenyl)methanone
CID 1471626
[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone
CID 27327097
[(3R,4S)-4-(4-chlorophenyl)-1-phenylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone
CID 11875067
(E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(4-chlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine
CID 40856977
1-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-(4-methoxyphenyl)thiourea
CID 998858
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone
CID 1475633
[(E)-[[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-(4-methoxyphenyl)methylidene]amino] 2,4-difluorobenzoate
CID 40856984
trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903
tert-butyl (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 70794725
(E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine
CID 40544488
(E)-1-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine
CID 40544487

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone?
The IUPAC name of (4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone (CID 14939961) is (4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone is COc1ccc(C2CC2C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone?
The InChIKey is HUXLJGRLILEMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO2/c1-20-14-8-4-11(5-9-14)15-10-16(15)17(19)12-2-6-13(18)7-3-12/h2-9,15-16H,10H2,1H3.
What are the key properties of (4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone?
(4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone has a molecular weight of 286.76 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone is sourced from PubChem (CID 14939961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).