1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone

C17H16O — CID 101070996

IUPAC1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone
SMILESCC(=O)C1[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C17H16O/c1-12(18)15-16(13-8-4-2-5-9-13)17(15)14-10-6-3-7-11-14/h2-11,15-17H,1H3/t15?,16-,17+
InChIKeyAXEQWLVEIWTVEX-ALOPSCKCSA-N
MW236.31 g/mol
LogP3.77
Rot. Bonds3

About 1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone

1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone (PubChem CID 101070996) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone
PubChem CID101070996
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone
SMILESCC(=O)C1[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C17H16O/c1-12(18)15-16(13-8-4-2-5-9-13)17(15)14-10-6-3-7-11-14/h2-11,15-17H,1H3/t15?,16-,17+
InChIKeyAXEQWLVEIWTVEX-ALOPSCKCSA-N
XLogP3.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
CID 13111202
4-[(1R)-3-acetyl-2-(4-carboxyphenyl)-4-phenylcyclobutyl]-3-fluorobenzoic acid
CID 155223276
4-[3-acetyl-2-(4-carboxyphenyl)-4-naphthalen-2-ylcyclobutyl]benzoic acid
CID 155210202
2-methyl-3-phenylcyclopropane-1-carboxylic acid
CID 83481885
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
methyl (2S,3S,4R,5R)-4-acetyl-3,5-diphenylpyrrolidine-2-carboxylate
CID 102039180
4-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid
CID 11156987
4-[(1R,2R,3R,4R)-2-acetyl-4-(6-formyloxynaphthalen-2-yl)-3-phenylcyclobutyl]benzoic acid
CID 155629627
[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone
CID 23243414
cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid
CID 686165
cis-(2S,3R)-N-benzyl-2,3-diphenylcyclopropane-1-carboxamide
CID 101216317
CID 10525362
CID 10525362

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone?
The IUPAC name of 1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone (CID 101070996) is 1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone.
What is the SMILES notation for 1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone?
The canonical SMILES for 1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone is CC(=O)C1[C@@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of 1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone?
The InChIKey is AXEQWLVEIWTVEX-ALOPSCKCSA-N. The full InChI is InChI=1S/C17H16O/c1-12(18)15-16(13-8-4-2-5-9-13)17(15)14-10-6-3-7-11-14/h2-11,15-17H,1H3/t15?,16-,17+.
What are the key properties of 1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone?
1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone has a molecular weight of 236.31 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone is sourced from PubChem (CID 101070996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).