[(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone

C24H20O2 — CID 102521707

IUPAC[(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone
SMILESCc1ccc(C2[C@@H](C(=O)c3ccccc3)[C@@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H20O2/c1-16-12-14-17(15-13-16)20-21(23(25)18-8-4-2-5-9-18)22(20)24(26)19-10-6-3-7-11-19/h2-15,20-22H,1H3/t21-,22-/m1/s1
InChIKeyVWGWNCYXJIUDMC-FGZHOGPDSA-N
MW340.42 g/mol
LogP5.09
Rot. Bonds5

About [(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone

[(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone (PubChem CID 102521707) has the molecular formula C24H20O2 and a molecular weight of 340.42 g/mol. Its IUPAC name is [(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone.

Molecular Properties

Compound Name[(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone
PubChem CID102521707
Molecular FormulaC24H20O2
Molecular Weight340.42 g/mol
Exact Mass340.15
IUPAC Name[(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone
SMILESCc1ccc(C2[C@@H](C(=O)c3ccccc3)[C@@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H20O2/c1-16-12-14-17(15-13-16)20-21(23(25)18-8-4-2-5-9-18)22(20)24(26)19-10-6-3-7-11-19/h2-15,20-22H,1H3/t21-,22-/m1/s1
InChIKeyVWGWNCYXJIUDMC-FGZHOGPDSA-N
XLogP5.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,3R)-3-(4-methylphenyl)oxiran-2-yl]-phenylmethanone
CID 12031052
[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
CID 13111202
[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone
CID 23243414
methyl (2S,3R,4S,5R)-4-benzoyl-5-(4-methylphenyl)-3-phenylpyrrolidine-2-carboxylate
CID 44597701
CID 11796371
CID 11796371
[(1S,2R,4S,5R)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone
CID 11476370
(4S,5R)-5-benzoyl-4-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 57333457
[2,2-dimethyl-6-(4-methylphenyl)oxasilinan-5-yl]-phenylmethanone
CID 102373559
1-[(2S,3S)-2-benzoyl-5-methyl-3-(4-methylphenyl)-2,3-dihydrofuran-4-yl]ethanone
CID 11151361
(4-methylphenyl)-[(2R,3R)-3-(4-methylphenyl)oxiran-2-yl]methanone
CID 135933564
(4-methylphenyl)-[3-(4-methylphenyl)oxiran-2-yl]methanone
CID 159142458
(2S,3S,4S,5R)-2,4-dibenzoyl-5-hydroxy-5-methyl-3-(4-methylphenyl)cyclohexan-1-one
CID 124756410

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone?
The IUPAC name of [(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone (CID 102521707) is [(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone.
What is the SMILES notation for [(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone?
The canonical SMILES for [(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone is Cc1ccc(C2[C@@H](C(=O)c3ccccc3)[C@@H]2C(=O)c2ccccc2)cc1.
What is the InChIKey of [(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone?
The InChIKey is VWGWNCYXJIUDMC-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H20O2/c1-16-12-14-17(15-13-16)20-21(23(25)18-8-4-2-5-9-18)22(20)24(26)19-10-6-3-7-11-19/h2-15,20-22H,1H3/t21-,22-/m1/s1.
What are the key properties of [(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone?
[(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone has a molecular weight of 340.42 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone is sourced from PubChem (CID 102521707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).