1-(2-acetyl-6-methylphenyl)propan-2-one

C12H14O2 — CID 58202287

IUPAC1-(2-acetyl-6-methylphenyl)propan-2-one
SMILESCC(=O)Cc1c(C)cccc1C(C)=O
InChIInChI=1S/C12H14O2/c1-8-5-4-6-11(10(3)14)12(8)7-9(2)13/h4-6H,7H2,1-3H3
InChIKeyGKXFCWIIIBBFCT-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.33
Rot. Bonds3

About 1-(2-acetyl-6-methylphenyl)propan-2-one

1-(2-acetyl-6-methylphenyl)propan-2-one (PubChem CID 58202287) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-(2-acetyl-6-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-acetyl-6-methylphenyl)propan-2-one
PubChem CID58202287
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1-(2-acetyl-6-methylphenyl)propan-2-one
SMILESCC(=O)Cc1c(C)cccc1C(C)=O
InChIInChI=1S/C12H14O2/c1-8-5-4-6-11(10(3)14)12(8)7-9(2)13/h4-6H,7H2,1-3H3
InChIKeyGKXFCWIIIBBFCT-UHFFFAOYSA-N
XLogP2.33
TPSA34.14 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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-6-methylphenyl)propan-2-one
CID 84765067
ethane;1-(2-methylphenyl)ethanone
CID 91374073
1-(5-methylnaphthalen-1-yl)ethanone
CID 15563480
1-[2-(difluoromethoxy)-6-methylphenyl]propan-2-one
CID 118835704
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
5,6-dimethylhept-6-en-2-one;ethane;1-(2-ethyl-3-methylphenyl)ethanone
CID 171802070
bis(2-ethyl-3-methylphenyl)methanone
CID 141055739
2-(2-acetyl-6-fluorophenyl)acetic acid
CID 121231894
methyl 3-amino-2-(2-oxopropyl)benzoate
CID 134648431
acetic acid;(2,6-dimethylphenyl)methanol
CID 71387321
ethane;methoxymethane;1-(2-methylphenyl)ethanone
CID 90975384
1-(2-ethoxy-3-methylphenyl)ethanone
CID 82074964

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-6-methylphenyl)propan-2-one?
The IUPAC name of 1-(2-acetyl-6-methylphenyl)propan-2-one (CID 58202287) is 1-(2-acetyl-6-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(2-acetyl-6-methylphenyl)propan-2-one?
The canonical SMILES for 1-(2-acetyl-6-methylphenyl)propan-2-one is CC(=O)Cc1c(C)cccc1C(C)=O.
What is the InChIKey of 1-(2-acetyl-6-methylphenyl)propan-2-one?
The InChIKey is GKXFCWIIIBBFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8-5-4-6-11(10(3)14)12(8)7-9(2)13/h4-6H,7H2,1-3H3.
What are the key properties of 1-(2-acetyl-6-methylphenyl)propan-2-one?
1-(2-acetyl-6-methylphenyl)propan-2-one has a molecular weight of 190.24 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-6-methylphenyl)propan-2-one is sourced from PubChem (CID 58202287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).