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

C11H11ClO — CID 164769669

IUPAC2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
SMILESO=C(CCl)[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C11H11ClO/c12-7-11(13)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-,10-/m0/s1
InChIKeyATMVSGTTXYEILW-UWVGGRQHSA-N
MW194.66 g/mol
LogP2.60
Rot. Bonds3

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

2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone (PubChem CID 164769669) has the molecular formula C11H11ClO and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
PubChem CID164769669
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
Exact Mass194.05
IUPAC Name2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
SMILESO=C(CCl)[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C11H11ClO/c12-7-11(13)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-,10-/m0/s1
InChIKeyATMVSGTTXYEILW-UWVGGRQHSA-N
XLogP2.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one
CID 116561052
cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
CID 689551
3-oxo-3-[(1R,2R)-2-phenylcyclopropyl]propanenitrile
CID 86694682
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
methyl 3-oxo-3-[(1R,2R)-2-phenylcyclopropyl]propanoate
CID 101155586
2-(furan-2-yl)-1-(2-phenylcyclopropyl)ethanone
CID 115795569
2-(2,4-dichlorophenyl)-1-(2-phenylcyclopropyl)ethanone
CID 116516992
N,N-diethylformamide;1-[(1R,2S)-2-phenylcyclopropyl]propan-1-one
CID 162061850
2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone
CID 159213870
3-methylsulfonyl-1-(2-phenylcyclopropyl)propan-1-one
CID 114969559
2-(tert-butylamino)-1-(2-phenylcyclopropyl)ethanone
CID 116588801

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone?
The IUPAC name of 2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone (CID 164769669) is 2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone.
What is the SMILES notation for 2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone?
The canonical SMILES for 2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone is O=C(CCl)[C@H]1C[C@H]1c1ccccc1.
What is the InChIKey of 2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone?
The InChIKey is ATMVSGTTXYEILW-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H11ClO/c12-7-11(13)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-,10-/m0/s1.
What are the key properties of 2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone?
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone has a molecular weight of 194.66 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone is sourced from PubChem (CID 164769669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).