1-cyclopropyl-2-(2-methylphenyl)ethanone

C12H14O — CID 39236490

IUPAC1-cyclopropyl-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)C1CC1
InChIInChI=1S/C12H14O/c1-9-4-2-3-5-11(9)8-12(13)10-6-7-10/h2-5,10H,6-8H2,1H3
InChIKeyPQVHJDYPNSLCEQ-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.52
Rot. Bonds3

About 1-cyclopropyl-2-(2-methylphenyl)ethanone

1-cyclopropyl-2-(2-methylphenyl)ethanone (PubChem CID 39236490) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-methylphenyl)ethanone
PubChem CID39236490
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-cyclopropyl-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)C1CC1
InChIInChI=1S/C12H14O/c1-9-4-2-3-5-11(9)8-12(13)10-6-7-10/h2-5,10H,6-8H2,1H3
InChIKeyPQVHJDYPNSLCEQ-UHFFFAOYSA-N
XLogP2.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-(2-methylphenyl)propan-1-one
CID 24725657
N'-[2-(2-methylphenyl)acetyl]cyclopropanecarbohydrazide
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1-cyclohexyl-3-(2-methylphenyl)propan-1-one
CID 24725660
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347164
1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone
CID 116579919
2-(2-methylphenyl)acetic acid
CID 67440217
1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 55202009
1-(2,3-dihydro-1H-inden-1-yl)-2-(2-methylphenyl)ethanone
CID 65407423
2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 64776634
3-amino-3-cyclopropyl-1-(2-methylphenyl)butan-2-one
CID 116558532
tert-butyl 3-[2-(2-methylphenyl)acetyl]pyrrolidine-1-carboxylate
CID 107091890
2-(2-chlorophenyl)-1-cyclobutylethanone
CID 61054249

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(2-methylphenyl)ethanone (CID 39236490) is 1-cyclopropyl-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2-methylphenyl)ethanone?
The InChIKey is PQVHJDYPNSLCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-9-4-2-3-5-11(9)8-12(13)10-6-7-10/h2-5,10H,6-8H2,1H3.
What are the key properties of 1-cyclopropyl-2-(2-methylphenyl)ethanone?
1-cyclopropyl-2-(2-methylphenyl)ethanone has a molecular weight of 174.24 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 39236490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).