1-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]ethanone

C17H16O — CID 10561809

IUPAC1-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]ethanone
SMILESCC(=O)c1ccc([C@@H]2C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C17H16O/c1-12(18)13-7-9-15(10-8-13)17-11-16(17)14-5-3-2-4-6-14/h2-10,16-17H,11H2,1H3/t16-,17+/m1/s1
InChIKeyRGLSLMAODDWWGI-SJORKVTESA-N
MW236.31 g/mol
LogP4.16
Rot. Bonds3

About 1-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]ethanone

1-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]ethanone (PubChem CID 10561809) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]ethanone
PubChem CID10561809
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name1-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]ethanone
SMILESCC(=O)c1ccc([C@@H]2C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C17H16O/c1-12(18)13-7-9-15(10-8-13)17-11-16(17)14-5-3-2-4-6-14/h2-10,16-17H,11H2,1H3/t16-,17+/m1/s1
InChIKeyRGLSLMAODDWWGI-SJORKVTESA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2-phenylcyclopropyl)phenyl]ethanone
CID 4663286
4-[(1R,2S)-2-phenylcyclopropyl]benzoic acid
CID 138543180
4-(2-phenylcyclopropyl)benzohydrazide
CID 4594491
4-[(1S,2R)-2-phenylcyclopropyl]benzohydrazide
CID 910989
4-[(1R,2R)-2-phenylcyclopropyl]benzohydrazide
CID 1386818
N-(4-acetylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 4205798
4-(2-phenylcyclopropyl)benzohydrazide;hydrochloride
CID 44657658
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
1-[4-[2-(fluoromethyl)cyclopropyl]phenyl]ethanone
CID 115019013
acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine
CID 22216545
1-[4-[(3R,4S)-1-benzyl-4-hydroxypyrrolidin-3-yl]phenyl]ethanone
CID 134951863
1-[4-(2-fluorocyclobutyl)phenyl]ethanone
CID 115019007

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]ethanone (CID 10561809) is 1-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]ethanone is CC(=O)c1ccc([C@@H]2C[C@@H]2c2ccccc2)cc1.
What is the InChIKey of 1-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]ethanone?
The InChIKey is RGLSLMAODDWWGI-SJORKVTESA-N. The full InChI is InChI=1S/C17H16O/c1-12(18)13-7-9-15(10-8-13)17-11-16(17)14-5-3-2-4-6-14/h2-10,16-17H,11H2,1H3/t16-,17+/m1/s1.
What are the key properties of 1-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]ethanone?
1-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]ethanone has a molecular weight of 236.31 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]ethanone is sourced from PubChem (CID 10561809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).