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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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).