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

C17H15ClO2 — CID 3368424

IUPAC[2-(4-chlorophenyl)cyclopropyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClO2/c1-20-14-8-4-12(5-9-14)17(19)16-10-15(16)11-2-6-13(18)7-3-11/h2-9,15-16H,10H2,1H3
InChIKeyREFKXIHTNUONND-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.34
Rot. Bonds4

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

[2-(4-chlorophenyl)cyclopropyl]-(4-methoxyphenyl)methanone (PubChem CID 3368424) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is [2-(4-chlorophenyl)cyclopropyl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)cyclopropyl]-(4-methoxyphenyl)methanone
PubChem CID3368424
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name[2-(4-chlorophenyl)cyclopropyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClO2/c1-20-14-8-4-12(5-9-14)17(19)16-10-15(16)11-2-6-13(18)7-3-11/h2-9,15-16H,10H2,1H3
InChIKeyREFKXIHTNUONND-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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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)cyclopropyl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2-(4-chlorophenyl)cyclopropyl]-(4-methoxyphenyl)methanone (CID 3368424) is [2-(4-chlorophenyl)cyclopropyl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)cyclopropyl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)cyclopropyl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CC2c2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-(4-chlorophenyl)cyclopropyl]-(4-methoxyphenyl)methanone?
The InChIKey is REFKXIHTNUONND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO2/c1-20-14-8-4-12(5-9-14)17(19)16-10-15(16)11-2-6-13(18)7-3-11/h2-9,15-16H,10H2,1H3.
What are the key properties of [2-(4-chlorophenyl)cyclopropyl]-(4-methoxyphenyl)methanone?
[2-(4-chlorophenyl)cyclopropyl]-(4-methoxyphenyl)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 [2-(4-chlorophenyl)cyclopropyl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 3368424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).