1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone

C12H14O2 — CID 28912388

IUPAC1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
SMILESCOc1cccc([C@H]2C[C@@H]2C(C)=O)c1
InChIInChI=1S/C12H14O2/c1-8(13)11-7-12(11)9-4-3-5-10(6-9)14-2/h3-6,11-12H,7H2,1-2H3/t11-,12-/m1/s1
InChIKeyXUQUGMXSCIEFJG-VXGBXAGGSA-N
MW190.24 g/mol
LogP2.39
Rot. Bonds3

About 1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone

1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone (PubChem CID 28912388) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
PubChem CID28912388
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
SMILESCOc1cccc([C@H]2C[C@@H]2C(C)=O)c1
InChIInChI=1S/C12H14O2/c1-8(13)11-7-12(11)9-4-3-5-10(6-9)14-2/h3-6,11-12H,7H2,1-2H3/t11-,12-/m1/s1
InChIKeyXUQUGMXSCIEFJG-VXGBXAGGSA-N
XLogP2.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 22347517
1-[2-(3-cyclopropylphenyl)cyclopropyl]ethanone
CID 79980851
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoic acid
CID 119209130
2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020565
(3S,4R)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762171
(3S,4R)-1-acetyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 70714398
(3R,4S)-4-(3-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 99962565
(3R,4R)-4-(3-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 99962564
(4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone
CID 71878323
cis-(1R,2S)-N-(2-cyclopentylpropan-2-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 97329645
(3S)-2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125153411

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone?
The IUPAC name of 1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone (CID 28912388) is 1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone is COc1cccc([C@H]2C[C@@H]2C(C)=O)c1.
What is the InChIKey of 1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone?
The InChIKey is XUQUGMXSCIEFJG-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H14O2/c1-8(13)11-7-12(11)9-4-3-5-10(6-9)14-2/h3-6,11-12H,7H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of 1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone?
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone has a molecular weight of 190.24 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone is sourced from PubChem (CID 28912388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).