[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone

C17H14O2 — CID 12564065

IUPAC[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1C[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C17H14O2/c18-16(12-7-3-1-4-8-12)14-11-15(14)17(19)13-9-5-2-6-10-13/h1-10,14-15H,11H2/t14-,15-/m1/s1
InChIKeyGORKAYCJASPOSC-HUUCEWRRSA-N
MW250.30 g/mol
LogP3.39
Rot. Bonds4

About [(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone

[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone (PubChem CID 12564065) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is [(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone.

Molecular Properties

Compound Name[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
PubChem CID12564065
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1C[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C17H14O2/c18-16(12-7-3-1-4-8-12)14-11-15(14)17(19)13-9-5-2-6-10-13/h1-10,14-15H,11H2/t14-,15-/m1/s1
InChIKeyGORKAYCJASPOSC-HUUCEWRRSA-N
XLogP3.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-benzoylcyclopropane-1-carboxylic acid
CID 899673
ethyl 2-benzoylcyclopropane-1-carboxylate
CID 15568394
trans-tert-butyl (1S,2S)-2-benzoylcyclopropane-1-carboxylate
CID 12996560
trans-(1S,2S)-2-benzoyl-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 102245107
trans-1-adamantyl (1S,2S)-2-benzoylcyclopropane-1-carboxylate
CID 101048747
(1S,2S,4S)-2-benzoyl-4-phenylcyclohexane-1-carboxylic acid
CID 101034358
2-benzoylcyclohexane-1-carbonyl chloride
CID 22288669
[(1R,2R)-2-ethenylcyclopropyl]-phenylmethanone
CID 14120313
[(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone
CID 12032685
1-[(1R,2S,3R)-3-benzoyl-2-methylcyclopentyl]ethanone
CID 102579014
1-[(1S,2R,3R)-3-benzoyl-2-methylcyclopentyl]ethanone
CID 102181829
[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-phenylmethanone
CID 98066243

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone?
The IUPAC name of [(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone (CID 12564065) is [(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone.
What is the SMILES notation for [(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone?
The canonical SMILES for [(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone is O=C(c1ccccc1)[C@@H]1C[C@H]1C(=O)c1ccccc1.
What is the InChIKey of [(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone?
The InChIKey is GORKAYCJASPOSC-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H14O2/c18-16(12-7-3-1-4-8-12)14-11-15(14)17(19)13-9-5-2-6-10-13/h1-10,14-15H,11H2/t14-,15-/m1/s1.
What are the key properties of [(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone?
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone has a molecular weight of 250.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone is sourced from PubChem (CID 12564065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).