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

C11H11ClO — CID 1475633

IUPAC1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone
SMILESCC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClO/c1-7(13)10-6-11(10)8-2-4-9(12)5-3-8/h2-5,10-11H,6H2,1H3/t10-,11+/m0/s1
InChIKeyUBHKMDYUOAVGAN-WDEREUQCSA-N
MW194.66 g/mol
LogP3.03
Rot. Bonds2

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

1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone (PubChem CID 1475633) has the molecular formula C11H11ClO and a molecular weight of 194.66 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone
PubChem CID1475633
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
Exact Mass194.05
IUPAC Name1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone
SMILESCC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClO/c1-7(13)10-6-11(10)8-2-4-9(12)5-3-8/h2-5,10-11H,6H2,1H3/t10-,11+/m0/s1
InChIKeyUBHKMDYUOAVGAN-WDEREUQCSA-N
XLogP3.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903
1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone
CID 39057983
2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 23027092
1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone
CID 93304641
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 88976035
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
N-[1-[2-(4-chlorophenyl)cyclopropyl]ethylidene]hydroxylamine
CID 2765708
1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone
CID 93025354
tert-butyl (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 70794725
1-[4-(4-chlorophenyl)-2-hydroxycyclohexyl]ethanone
CID 91060117

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone?
The IUPAC name of 1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone (CID 1475633) is 1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone is CC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of 1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone?
The InChIKey is UBHKMDYUOAVGAN-WDEREUQCSA-N. The full InChI is InChI=1S/C11H11ClO/c1-7(13)10-6-11(10)8-2-4-9(12)5-3-8/h2-5,10-11H,6H2,1H3/t10-,11+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone?
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone has a molecular weight of 194.66 g/mol, XLogP of 3.03, 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-chlorophenyl)cyclopropyl]ethanone is sourced from PubChem (CID 1475633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).