[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone

C17H16O — CID 23243414

IUPAC[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone
SMILESC[C@@H]1[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C17H16O/c1-12-15(13-8-4-2-5-9-13)16(12)17(18)14-10-6-3-7-11-14/h2-12,15-16H,1H3/t12-,15+,16+/m0/s1
InChIKeyYDZLQQUBLMVMSV-APHBMKBZSA-N
MW236.31 g/mol
LogP3.92
Rot. Bonds3

About [(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone

[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone (PubChem CID 23243414) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is [(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone.

Molecular Properties

Compound Name[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone
PubChem CID23243414
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone
SMILESC[C@@H]1[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C17H16O/c1-12-15(13-8-4-2-5-9-13)16(12)17(18)14-10-6-3-7-11-14/h2-12,15-16H,1H3/t12-,15+,16+/m0/s1
InChIKeyYDZLQQUBLMVMSV-APHBMKBZSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
CID 13111202
2-methyl-3-phenylcyclopropane-1-carboxylic acid
CID 83481885
[(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone
CID 102521707
4-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid
CID 11156987
2-benzoyl-4-methyl-3-phenylcyclobutan-1-one
CID 20723879
[(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone
CID 15419338
phenyl-[(1R,2R,3S,4R)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]methanone
CID 99951737
phenyl-[(1S,8R,9S,10R)-10-phenyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone
CID 154708999
2-(2-benzoyl-3-phenylcyclopropyl)acetyl chloride
CID 72801553
1-[(1S,2S,3R)-2-benzoyl-3-methylcyclopropyl]propan-2-one
CID 11790611
[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-methylcyclopropyl]-phenylmethanone
CID 73293861
[4,5-dimethyl-2-(2-methylprop-1-enyl)-6-phenylcyclohex-3-en-1-yl]-phenylmethanone
CID 22331029

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone?
The IUPAC name of [(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone (CID 23243414) is [(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone.
What is the SMILES notation for [(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone?
The canonical SMILES for [(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone is C[C@@H]1[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of [(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone?
The InChIKey is YDZLQQUBLMVMSV-APHBMKBZSA-N. The full InChI is InChI=1S/C17H16O/c1-12-15(13-8-4-2-5-9-13)16(12)17(18)14-10-6-3-7-11-14/h2-12,15-16H,1H3/t12-,15+,16+/m0/s1.
What are the key properties of [(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone?
[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone has a molecular weight of 236.31 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone is sourced from PubChem (CID 23243414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).