3-(2,3-dimethylphenyl)-1-(3,4-dimethylphenyl)propan-1-one

C19H22O — CID 24726242

IUPAC3-(2,3-dimethylphenyl)-1-(3,4-dimethylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCc2cccc(C)c2C)cc1C
InChIInChI=1S/C19H22O/c1-13-8-9-18(12-15(13)3)19(20)11-10-17-7-5-6-14(2)16(17)4/h5-9,12H,10-11H2,1-4H3
InChIKeyRTMZFDYNCQNHLE-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.74
Rot. Bonds4

About 3-(2,3-dimethylphenyl)-1-(3,4-dimethylphenyl)propan-1-one

3-(2,3-dimethylphenyl)-1-(3,4-dimethylphenyl)propan-1-one (PubChem CID 24726242) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)-1-(3,4-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(2,3-dimethylphenyl)-1-(3,4-dimethylphenyl)propan-1-one
PubChem CID24726242
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name3-(2,3-dimethylphenyl)-1-(3,4-dimethylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCc2cccc(C)c2C)cc1C
InChIInChI=1S/C19H22O/c1-13-8-9-18(12-15(13)3)19(20)11-10-17-7-5-6-14(2)16(17)4/h5-9,12H,10-11H2,1-4H3
InChIKeyRTMZFDYNCQNHLE-UHFFFAOYSA-N
XLogP4.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(2,3-dimethylphenyl)propan-1-one
CID 24726238
(3,4-dimethylphenyl)-[4-[(2,3-dimethylphenyl)methyl]phenyl]methanone
CID 143897039
3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one
CID 105094898
1-[3-methyl-4-[4-(2-methylphenyl)cyclohexyl]phenyl]-3-(2-propylphenyl)propan-1-one
CID 123234796
1-(2,4-difluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one
CID 24726261
1-(2,3-dimethylphenyl)-4,4-dimethylpentan-3-one
CID 64502669
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one
CID 91755550
1-(4-bromo-2-fluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one
CID 24726252
4-amino-1-(3,4-dimethylphenyl)butan-1-one
CID 55267484
3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 24725641
3-[3-(2-methylphenyl)propanoyl]benzonitrile
CID 24725616
2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanone
CID 82802493

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenyl)-1-(3,4-dimethylphenyl)propan-1-one?
The IUPAC name of 3-(2,3-dimethylphenyl)-1-(3,4-dimethylphenyl)propan-1-one (CID 24726242) is 3-(2,3-dimethylphenyl)-1-(3,4-dimethylphenyl)propan-1-one.
What is the SMILES notation for 3-(2,3-dimethylphenyl)-1-(3,4-dimethylphenyl)propan-1-one?
The canonical SMILES for 3-(2,3-dimethylphenyl)-1-(3,4-dimethylphenyl)propan-1-one is Cc1ccc(C(=O)CCc2cccc(C)c2C)cc1C.
What is the InChIKey of 3-(2,3-dimethylphenyl)-1-(3,4-dimethylphenyl)propan-1-one?
The InChIKey is RTMZFDYNCQNHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-13-8-9-18(12-15(13)3)19(20)11-10-17-7-5-6-14(2)16(17)4/h5-9,12H,10-11H2,1-4H3.
What are the key properties of 3-(2,3-dimethylphenyl)-1-(3,4-dimethylphenyl)propan-1-one?
3-(2,3-dimethylphenyl)-1-(3,4-dimethylphenyl)propan-1-one has a molecular weight of 266.38 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenyl)-1-(3,4-dimethylphenyl)propan-1-one is sourced from PubChem (CID 24726242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).