[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone

C22H18O — CID 13111202

IUPAC[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
SMILESO=C(c1ccccc1)C1[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C22H18O/c23-22(18-14-8-3-9-15-18)21-19(16-10-4-1-5-11-16)20(21)17-12-6-2-7-13-17/h1-15,19-21H/t19-,20+,21?
InChIKeyVTKDKHYPPRDKPN-WCRBZPEASA-N
MW298.39 g/mol
LogP5.07
Rot. Bonds4

About [(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone

[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone (PubChem CID 13111202) has the molecular formula C22H18O and a molecular weight of 298.39 g/mol. Its IUPAC name is [(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone.

Molecular Properties

Compound Name[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
PubChem CID13111202
Molecular FormulaC22H18O
Molecular Weight298.39 g/mol
Exact Mass298.14
IUPAC Name[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
SMILESO=C(c1ccccc1)C1[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C22H18O/c23-22(18-14-8-3-9-15-18)21-19(16-10-4-1-5-11-16)20(21)17-12-6-2-7-13-17/h1-15,19-21H/t19-,20+,21?
InChIKeyVTKDKHYPPRDKPN-WCRBZPEASA-N
XLogP5.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid
CID 11156987
[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone
CID 23243414
[(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone
CID 102521707
phenyl-[(1R,2R,3S,4R)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]methanone
CID 99951737
[(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone
CID 15419338
2-(2-benzoyl-3-phenylcyclopropyl)acetyl chloride
CID 72801553
phenyl-[(1S,8R,9S,10R)-10-phenyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone
CID 154708999
6-[(1R,2S,3R)-2-benzoyl-3-phenylcyclopropyl]-1,3-dimethylpyrimidine-2,4-dione
CID 10642261
1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone
CID 101070996
phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone
CID 728561
CID 10525362
CID 10525362
3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]-N-[(1S)-1-phenylethyl]benzamide
CID 11775167

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone?
The IUPAC name of [(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone (CID 13111202) is [(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone.
What is the SMILES notation for [(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone?
The canonical SMILES for [(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone is O=C(c1ccccc1)C1[C@@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of [(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone?
The InChIKey is VTKDKHYPPRDKPN-WCRBZPEASA-N. The full InChI is InChI=1S/C22H18O/c23-22(18-14-8-3-9-15-18)21-19(16-10-4-1-5-11-16)20(21)17-12-6-2-7-13-17/h1-15,19-21H/t19-,20+,21?.
What are the key properties of [(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone?
[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone has a molecular weight of 298.39 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone is sourced from PubChem (CID 13111202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).