3-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)propan-1-one

C19H22O — CID 24726455

IUPAC3-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)propan-1-one
SMILESCc1cc(C)cc(C(=O)CCc2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H22O/c1-13-9-14(2)11-18(10-13)19(20)8-7-17-6-5-15(3)16(4)12-17/h5-6,9-12H,7-8H2,1-4H3
InChIKeyAXWVCMCYTDTOBX-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.74
Rot. Bonds4

About 3-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)propan-1-one

3-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)propan-1-one (PubChem CID 24726455) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)propan-1-one
PubChem CID24726455
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name3-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)propan-1-one
SMILESCc1cc(C)cc(C(=O)CCc2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H22O/c1-13-9-14(2)11-18(10-13)19(20)8-7-17-6-5-15(3)16(4)12-17/h5-6,9-12H,7-8H2,1-4H3
InChIKeyAXWVCMCYTDTOBX-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(3,5-dimethylphenyl)propan-1-one
CID 24726508
1-(3,5-dimethylphenyl)-3-(4-methylsulfanylphenyl)propan-1-one
CID 24725990
3-(3,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726448
3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)propan-1-one
CID 24726042
1-(3-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 104853112
ethyl 3-[3-(3,4-dimethylphenyl)propanoyl]benzoate
CID 24726440
4-(3,4-dimethylphenyl)butan-2-one;propane
CID 143070567
2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
CID 65299275
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 63411866
1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024078
3-(4-methylphenyl)-1-(3,4,5-trifluorophenyl)propan-1-one
CID 24725759
(R)-N-[4-(3,4-dimethylphenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide
CID 158735809

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)propan-1-one?
The IUPAC name of 3-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)propan-1-one (CID 24726455) is 3-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)propan-1-one.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)propan-1-one?
The canonical SMILES for 3-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)propan-1-one is Cc1cc(C)cc(C(=O)CCc2ccc(C)c(C)c2)c1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)propan-1-one?
The InChIKey is AXWVCMCYTDTOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-13-9-14(2)11-18(10-13)19(20)8-7-17-6-5-15(3)16(4)12-17/h5-6,9-12H,7-8H2,1-4H3.
What are the key properties of 3-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)propan-1-one?
3-(3,4-dimethylphenyl)-1-(3,5-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-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)propan-1-one is sourced from PubChem (CID 24726455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).