1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone

C21H26O2 — CID 159972126

IUPAC1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone
SMILESCC(=O)c1ccc(C)c(C)c1.CCc1cc(C(C)=O)ccc1C
InChIInChI=1S/C11H14O.C10H12O/c1-4-10-7-11(9(3)12)6-5-8(10)2;1-7-4-5-10(9(3)11)6-8(7)2/h5-7H,4H2,1-3H3;4-6H,1-3H3
InChIKeyOERJPRAOAWKZBL-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.27
Rot. Bonds3

About 1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone

1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone (PubChem CID 159972126) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone
PubChem CID159972126
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone
SMILESCC(=O)c1ccc(C)c(C)c1.CCc1cc(C(C)=O)ccc1C
InChIInChI=1S/C11H14O.C10H12O/c1-4-10-7-11(9(3)12)6-5-8(10)2;1-7-4-5-10(9(3)11)6-8(7)2/h5-7H,4H2,1-3H3;4-6H,1-3H3
InChIKeyOERJPRAOAWKZBL-UHFFFAOYSA-N
XLogP5.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methyl-3-prop-2-enylphenyl)ethanone
CID 143718324
1-(3-methyl-4-propylphenyl)ethanone
CID 118119464
1,5-diethyl-2,4-dimethylbenzene;ethane;1-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]ethanone
CID 144777077
1-(4-methyl-3-pent-3-ynylphenyl)ethanone
CID 145350521
1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone
CID 53409856
1-(4-acetyl-3-methylphenyl)ethanone;1-(4-acetylphenyl)ethanone
CID 54481190
4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene
CID 123136977
1-(3-methyl-4-methylsulfanylphenyl)ethanone
CID 70350820
1-[4-[ethyl(methyl)amino]-3-methylphenyl]ethanone
CID 20641435
1-[4-(diethylamino)-3-methylphenyl]ethanone
CID 82054352
N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide
CID 28866890
1-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone
CID 82092576

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone (CID 159972126) is 1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone is CC(=O)c1ccc(C)c(C)c1.CCc1cc(C(C)=O)ccc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone?
The InChIKey is OERJPRAOAWKZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.C10H12O/c1-4-10-7-11(9(3)12)6-5-8(10)2;1-7-4-5-10(9(3)11)6-8(7)2/h5-7H,4H2,1-3H3;4-6H,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone?
1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone has a molecular weight of 310.44 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone is sourced from PubChem (CID 159972126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).