1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone

C12H14O — CID 39057983

IUPAC1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone
SMILESCC(=O)[C@@H]1C[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C12H14O/c1-8-3-5-10(6-4-8)12-7-11(12)9(2)13/h3-6,11-12H,7H2,1-2H3/t11-,12+/m0/s1
InChIKeyRSRIUYJBNCLNQB-NWDGAFQWSA-N
MW174.24 g/mol
LogP2.69
Rot. Bonds2

About 1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone

1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone (PubChem CID 39057983) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone
PubChem CID39057983
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone
SMILESCC(=O)[C@@H]1C[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C12H14O/c1-8-3-5-10(6-4-8)12-7-11(12)9(2)13/h3-6,11-12H,7H2,1-2H3/t11-,12+/m0/s1
InChIKeyRSRIUYJBNCLNQB-NWDGAFQWSA-N
XLogP2.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 23423017
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone
CID 1475633
1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone
CID 93025354
1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]ethanone
CID 63645174
1-[2-(3-bromo-4-methylphenyl)cyclopropyl]ethanone
CID 105407809
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
(4-bromophenyl)-[2-(4-methylphenyl)cyclopropyl]methanone
CID 73098803
(3S)-4-[4-(2-acetylcyclopropyl)phenyl]-3-methylbutan-2-one
CID 59123952
4-tert-butyl-2-(4-methylphenyl)cyclohexane-1-carboxylic acid
CID 81020836
trans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid
CID 54256967
1-[2-(furan-3-yl)cyclopropyl]ethanone
CID 63204245
1-[(1R,2R)-2-pyrimidin-5-ylcyclopropyl]ethanone
CID 154624191

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone?
The IUPAC name of 1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone (CID 39057983) is 1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone is CC(=O)[C@@H]1C[C@@H]1c1ccc(C)cc1.
What is the InChIKey of 1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone?
The InChIKey is RSRIUYJBNCLNQB-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H14O/c1-8-3-5-10(6-4-8)12-7-11(12)9(2)13/h3-6,11-12H,7H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone?
1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone has a molecular weight of 174.24 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone is sourced from PubChem (CID 39057983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).