[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone

C16H13ClO — CID 27327097

IUPAC[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClO/c17-13-8-6-11(7-9-13)14-10-15(14)16(18)12-4-2-1-3-5-12/h1-9,14-15H,10H2/t14-,15+/m0/s1
InChIKeyBQJIEIMRDLHQRY-LSDHHAIUSA-N
MW256.73 g/mol
LogP4.33
Rot. Bonds3

About [(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone

[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone (PubChem CID 27327097) has the molecular formula C16H13ClO and a molecular weight of 256.73 g/mol. Its IUPAC name is [(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone.

Molecular Properties

Compound Name[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone
PubChem CID27327097
Molecular FormulaC16H13ClO
Molecular Weight256.73 g/mol
Exact Mass256.07
IUPAC Name[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClO/c17-13-8-6-11(7-9-13)14-10-15(14)16(18)12-4-2-1-3-5-12/h1-9,14-15H,10H2/t14-,15+/m0/s1
InChIKeyBQJIEIMRDLHQRY-LSDHHAIUSA-N
XLogP4.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903
(4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone
CID 14939961
[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-(3-methoxyphenyl)methanone
CID 1471626
[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-phenylmethanone
CID 10266040
[2-(4-ethoxyphenyl)cyclopropyl]-phenylmethanone
CID 14939960
2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 23027092
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone
CID 1475633
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 88976035
4-[(1S,2S)-3-benzoyl-2-(4-carboxyphenyl)cyclobutyl]benzoic acid
CID 155223310
(4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone
CID 116517023
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone?
The IUPAC name of [(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone (CID 27327097) is [(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone.
What is the SMILES notation for [(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone?
The canonical SMILES for [(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone is O=C(c1ccccc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of [(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone?
The InChIKey is BQJIEIMRDLHQRY-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H13ClO/c17-13-8-6-11(7-9-13)14-10-15(14)16(18)12-4-2-1-3-5-12/h1-9,14-15H,10H2/t14-,15+/m0/s1.
What are the key properties of [(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone?
[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone has a molecular weight of 256.73 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone is sourced from PubChem (CID 27327097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).