4-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid

C23H18O3 — CID 11156987

IUPAC4-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)C2[C@@H](c3ccccc3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C23H18O3/c24-22(17-11-13-18(14-12-17)23(25)26)21-19(15-7-3-1-4-8-15)20(21)16-9-5-2-6-10-16/h1-14,19-21H,(H,25,26)/t19-,20+,21?
InChIKeyMERVBSMMLKJLCZ-WCRBZPEASA-N
MW342.39 g/mol
LogP4.76
Rot. Bonds5

About 4-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid

4-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid (PubChem CID 11156987) has the molecular formula C23H18O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 4-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid.

Molecular Properties

Compound Name4-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid
PubChem CID11156987
Molecular FormulaC23H18O3
Molecular Weight342.39 g/mol
Exact Mass342.13
IUPAC Name4-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)C2[C@@H](c3ccccc3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C23H18O3/c24-22(17-11-13-18(14-12-17)23(25)26)21-19(15-7-3-1-4-8-15)20(21)16-9-5-2-6-10-16/h1-14,19-21H,(H,25,26)/t19-,20+,21?
InChIKeyMERVBSMMLKJLCZ-WCRBZPEASA-N
XLogP4.76
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
CID 13111202
[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone
CID 23243414
2-(2-benzoyl-3-phenylcyclopropyl)acetyl chloride
CID 72801553
4-[(1S,2R,3R,4S)-2-acetyl-3-benzoyl-4-(4-formyloxyphenyl)cyclobutyl]benzoic acid
CID 155629634
4-[(1S,2S)-3-benzoyl-2-(4-carboxyphenyl)cyclobutyl]benzoic acid
CID 155223310
[(2S)-2-methylbutyl] 4-[(2R,3S)-2,3-diphenylcyclopropanecarbonyl]benzoate
CID 11177407
1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone
CID 101070996
(1R,2S,3R)-2-(4-bromobenzoyl)-3-phenylcyclopropane-1-carbaldehyde
CID 101448676
4-[(1R,2S)-2-phenylcyclopropyl]benzoic acid
CID 138543180
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
[(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone
CID 102521707

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid?
The IUPAC name of 4-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid (CID 11156987) is 4-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid.
What is the SMILES notation for 4-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid?
The canonical SMILES for 4-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid is O=C(O)c1ccc(C(=O)C2[C@@H](c3ccccc3)[C@H]2c2ccccc2)cc1.
What is the InChIKey of 4-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid?
The InChIKey is MERVBSMMLKJLCZ-WCRBZPEASA-N. The full InChI is InChI=1S/C23H18O3/c24-22(17-11-13-18(14-12-17)23(25)26)21-19(15-7-3-1-4-8-15)20(21)16-9-5-2-6-10-16/h1-14,19-21H,(H,25,26)/t19-,20+,21?.
What are the key properties of 4-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid?
4-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid has a molecular weight of 342.39 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid is sourced from PubChem (CID 11156987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).