[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-(3-methoxyphenyl)methanone

C17H15ClO2 — CID 1471626

IUPAC[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClO2/c1-20-14-4-2-3-12(9-14)17(19)16-10-15(16)11-5-7-13(18)8-6-11/h2-9,15-16H,10H2,1H3/t15-,16+/m0/s1
InChIKeyFWZPVWWGRKBOEH-JKSUJKDBSA-N
MW286.76 g/mol
LogP4.34
Rot. Bonds4

About [(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-(3-methoxyphenyl)methanone

[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-(3-methoxyphenyl)methanone (PubChem CID 1471626) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is [(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-(3-methoxyphenyl)methanone
PubChem CID1471626
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClO2/c1-20-14-4-2-3-12(9-14)17(19)16-10-15(16)11-5-7-13(18)8-6-11/h2-9,15-16H,10H2,1H3/t15-,16+/m0/s1
InChIKeyFWZPVWWGRKBOEH-JKSUJKDBSA-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

(4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone
CID 14939961
[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone
CID 27327097
1-[[(1S,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-(3-methoxyphenyl)thiourea
CID 998891
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
[2-(4-chlorophenyl)cyclopropyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19297403
(3-methoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114962440
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
cis-(1R,3S)-3-(3-methoxybenzoyl)cyclohexane-1-carboxylic acid
CID 24722452
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone
CID 1475633
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-(3-methoxyphenyl)methanone?
The IUPAC name of [(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-(3-methoxyphenyl)methanone (CID 1471626) is [(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1.
What is the InChIKey of [(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-(3-methoxyphenyl)methanone?
The InChIKey is FWZPVWWGRKBOEH-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H15ClO2/c1-20-14-4-2-3-12(9-14)17(19)16-10-15(16)11-5-7-13(18)8-6-11/h2-9,15-16H,10H2,1H3/t15-,16+/m0/s1.
What are the key properties of [(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-(3-methoxyphenyl)methanone?
[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-(3-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 [(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 1471626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).