1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone

C18H18O2 — CID 53409856

IUPAC1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone
SMILESCC(=O)c1ccc(C)c(-c2cc(C(C)=O)ccc2C)c1
InChIInChI=1S/C18H18O2/c1-11-5-7-15(13(3)19)9-17(11)18-10-16(14(4)20)8-6-12(18)2/h5-10H,1-4H3
InChIKeyQQBDLOFDSGVQOJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.38
Rot. Bonds3

About 1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone

1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone (PubChem CID 53409856) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone
PubChem CID53409856
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone
SMILESCC(=O)c1ccc(C)c(-c2cc(C(C)=O)ccc2C)c1
InChIInChI=1S/C18H18O2/c1-11-5-7-15(13(3)19)9-17(11)18-10-16(14(4)20)8-6-12(18)2/h5-10H,1-4H3
InChIKeyQQBDLOFDSGVQOJ-UHFFFAOYSA-N
XLogP4.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,8-dimethylazulen-5-yl)ethanone
CID 15109166
1-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]ethanone
CID 172649659
1-(4-acetyl-3-methylphenyl)ethanone;1-(4-acetylphenyl)ethanone
CID 54481190
1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone
CID 172649649
1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone
CID 148749091
1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone
CID 159972126
1-(4-chloro-3-methylphenyl)ethanone;ethane
CID 143383173
sodium 1-(3-methyl-4-sulfanylphenyl)ethanone
CID 22351836
1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone
CID 59080758
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-(3-methyl-4-propan-2-ylphenyl)ethanone
CID 89071977
1-(3-methyl-4-methylsulfanylphenyl)ethanone
CID 70350820

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone?
The IUPAC name of 1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone (CID 53409856) is 1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone.
What is the SMILES notation for 1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone?
The canonical SMILES for 1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone is CC(=O)c1ccc(C)c(-c2cc(C(C)=O)ccc2C)c1.
What is the InChIKey of 1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone?
The InChIKey is QQBDLOFDSGVQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-11-5-7-15(13(3)19)9-17(11)18-10-16(14(4)20)8-6-12(18)2/h5-10H,1-4H3.
What are the key properties of 1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone?
1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone has a molecular weight of 266.34 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone is sourced from PubChem (CID 53409856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).