1-(2-acetylphenyl)ethanone;methane

C11H14O2 — CID 158210616

IUPAC1-(2-acetylphenyl)ethanone;methane
SMILESC.CC(=O)c1ccccc1C(C)=O
InChIInChI=1S/C10H10O2.CH4/c1-7(11)9-5-3-4-6-10(9)8(2)12;/h3-6H,1-2H3;1H4
InChIKeyGCAMYOKICLPNCA-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.73
Rot. Bonds2

About 1-(2-acetylphenyl)ethanone;methane

1-(2-acetylphenyl)ethanone;methane (PubChem CID 158210616) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(2-acetylphenyl)ethanone;methane.

Molecular Properties

Compound Name1-(2-acetylphenyl)ethanone;methane
PubChem CID158210616
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-(2-acetylphenyl)ethanone;methane
SMILESC.CC(=O)c1ccccc1C(C)=O
InChIInChI=1S/C10H10O2.CH4/c1-7(11)9-5-3-4-6-10(9)8(2)12;/h3-6H,1-2H3;1H4
InChIKeyGCAMYOKICLPNCA-UHFFFAOYSA-N
XLogP2.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

acetaldehyde;1-(2-acetylphenyl)ethanone
CID 159210458
cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
ethane;1-(2-methylphenyl)ethanone
CID 91374073
1-(2-acetylphenyl)-2-bromoethanone
CID 10037328
2-acetyl-N-oxidobenzamide
CID 163875491
1-(2-acetylphenyl)butane-1,3-dione
CID 56993982
1-(2-benzoylphenyl)ethanone;molecular nitrogen
CID 174779565
1-[2-(1-methoxyethenyl)phenyl]ethanone
CID 121440840
2-acetylbenzohydrazide;hydrochloride
CID 175815383
(E)-1-(2-acetylphenyl)-3-hydroxyprop-2-en-1-one
CID 138456947

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetylphenyl)ethanone;methane?
The IUPAC name of 1-(2-acetylphenyl)ethanone;methane (CID 158210616) is 1-(2-acetylphenyl)ethanone;methane.
What is the SMILES notation for 1-(2-acetylphenyl)ethanone;methane?
The canonical SMILES for 1-(2-acetylphenyl)ethanone;methane is C.CC(=O)c1ccccc1C(C)=O.
What is the InChIKey of 1-(2-acetylphenyl)ethanone;methane?
The InChIKey is GCAMYOKICLPNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.CH4/c1-7(11)9-5-3-4-6-10(9)8(2)12;/h3-6H,1-2H3;1H4.
What are the key properties of 1-(2-acetylphenyl)ethanone;methane?
1-(2-acetylphenyl)ethanone;methane has a molecular weight of 178.23 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetylphenyl)ethanone;methane is sourced from PubChem (CID 158210616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).