1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one

C18H20O — CID 24725685

IUPAC1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one
SMILESCc1cccc(CCC(=O)c2c(C)cccc2C)c1
InChIInChI=1S/C18H20O/c1-13-6-4-9-16(12-13)10-11-17(19)18-14(2)7-5-8-15(18)3/h4-9,12H,10-11H2,1-3H3
InChIKeyRLKPAUKPHAHZPR-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.43
Rot. Bonds4

About 1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one

1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one (PubChem CID 24725685) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one
PubChem CID24725685
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one
SMILESCc1cccc(CCC(=O)c2c(C)cccc2C)c1
InChIInChI=1S/C18H20O/c1-13-6-4-9-16(12-13)10-11-17(19)18-14(2)7-5-8-15(18)3/h4-9,12H,10-11H2,1-3H3
InChIKeyRLKPAUKPHAHZPR-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one
CID 24725838
1-(2,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-one
CID 24725684
3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one
CID 24725664
3-(3-methylphenyl)-1-phenylpropan-1-one
CID 24725661
4-(3-methylphenyl)-2-oxobutanoic acid
CID 82185755
1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one
CID 24725678
3-(3-methylphenyl)-1-pyrimidin-5-ylpropan-1-one
CID 105085449
1-(4-bromo-2,6-dimethylphenyl)-3-phenylpropan-1-one
CID 146011150
N,N-diethyl-3-(3-methylphenyl)propanamide
CID 60701900
3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 24725694
4-(3-methylphenyl)-1-(3-methyl-2-pyridinyl)butan-2-one
CID 66448415
2,2-dimethyl-4-(3-methylphenyl)butanoic acid
CID 69050886

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one (CID 24725685) is 1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one is Cc1cccc(CCC(=O)c2c(C)cccc2C)c1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one?
The InChIKey is RLKPAUKPHAHZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-13-6-4-9-16(12-13)10-11-17(19)18-14(2)7-5-8-15(18)3/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one?
1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one has a molecular weight of 252.36 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one is sourced from PubChem (CID 24725685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).