1-(4-acetylphenyl)ethanone;methane

C12H18O2 — CID 159515104

IUPAC1-(4-acetylphenyl)ethanone;methane
SMILESC.C.CC(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C10H10O2.2CH4/c1-7(11)9-3-5-10(6-4-9)8(2)12;;/h3-6H,1-2H3;2*1H4
InChIKeyMBBXXHCHRXTWBE-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.36
Rot. Bonds2

About 1-(4-acetylphenyl)ethanone;methane

1-(4-acetylphenyl)ethanone;methane (PubChem CID 159515104) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-(4-acetylphenyl)ethanone;methane.

Molecular Properties

Compound Name1-(4-acetylphenyl)ethanone;methane
PubChem CID159515104
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-(4-acetylphenyl)ethanone;methane
SMILESC.C.CC(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C10H10O2.2CH4/c1-7(11)9-3-5-10(6-4-9)8(2)12;;/h3-6H,1-2H3;2*1H4
InChIKeyMBBXXHCHRXTWBE-UHFFFAOYSA-N
XLogP3.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
4-acetyl(11C)benzoic acid
CID 11205952
1-(4-arsanylphenyl)ethanone
CID 173138956
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
1-(4-hydroxyphenyl)ethanone;phosphane
CID 145192657
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
1-[4-(4-acetylphenyl)tellanylphenyl]ethanone
CID 15685304
1-(4-fluorophenyl)ethanone;methanol
CID 160697688
acetic acid;1-(4-sulfanylphenyl)ethanone
CID 21280613
ethane;1-(4-iodophenyl)ethanone
CID 159760217
1-(4-dimethylsilylphenyl)ethanone
CID 124706896
1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone
CID 520243

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)ethanone;methane?
The IUPAC name of 1-(4-acetylphenyl)ethanone;methane (CID 159515104) is 1-(4-acetylphenyl)ethanone;methane.
What is the SMILES notation for 1-(4-acetylphenyl)ethanone;methane?
The canonical SMILES for 1-(4-acetylphenyl)ethanone;methane is C.C.CC(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 1-(4-acetylphenyl)ethanone;methane?
The InChIKey is MBBXXHCHRXTWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.2CH4/c1-7(11)9-3-5-10(6-4-9)8(2)12;;/h3-6H,1-2H3;2*1H4.
What are the key properties of 1-(4-acetylphenyl)ethanone;methane?
1-(4-acetylphenyl)ethanone;methane has a molecular weight of 194.27 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)ethanone;methane is sourced from PubChem (CID 159515104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).