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

C19H22O — CID 24726508

IUPAC1,3-bis(3,5-dimethylphenyl)propan-1-one
SMILESCc1cc(C)cc(CCC(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H22O/c1-13-7-14(2)10-17(9-13)5-6-19(20)18-11-15(3)8-16(4)12-18/h7-12H,5-6H2,1-4H3
InChIKeyLSBCDZSCLFHXLC-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.74
Rot. Bonds4

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

1,3-bis(3,5-dimethylphenyl)propan-1-one (PubChem CID 24726508) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 1,3-bis(3,5-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name1,3-bis(3,5-dimethylphenyl)propan-1-one
PubChem CID24726508
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name1,3-bis(3,5-dimethylphenyl)propan-1-one
SMILESCc1cc(C)cc(CCC(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H22O/c1-13-7-14(2)10-17(9-13)5-6-19(20)18-11-15(3)8-16(4)12-18/h7-12H,5-6H2,1-4H3
InChIKeyLSBCDZSCLFHXLC-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

3-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)propan-1-one
CID 24726455
1-(3,5-dimethylphenyl)-3-(4-methylsulfanylphenyl)propan-1-one
CID 24725990
3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)propan-1-one
CID 24726042
1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024078
4-(3,5-dimethylphenyl)-4-oxobutanal
CID 175457717
CID 162413876
CID 162413876
3-(3-methylphenyl)-1-phenylpropan-1-one
CID 24725661
3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one
CID 24725664
1-cyclopropyl-3-(3,5-dimethylphenyl)propan-1-one
CID 24726531
3-(4-methylphenyl)-1-(3,4,5-trifluorophenyl)propan-1-one
CID 24725759
1-(3,5-dimethylphenyl)-5-methylhex-4-en-3-one;yttrium
CID 59202618
1-(3,5-dimethylphenyl)hex-5-yn-1-one
CID 115798384

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3,5-dimethylphenyl)propan-1-one?
The IUPAC name of 1,3-bis(3,5-dimethylphenyl)propan-1-one (CID 24726508) is 1,3-bis(3,5-dimethylphenyl)propan-1-one.
What is the SMILES notation for 1,3-bis(3,5-dimethylphenyl)propan-1-one?
The canonical SMILES for 1,3-bis(3,5-dimethylphenyl)propan-1-one is Cc1cc(C)cc(CCC(=O)c2cc(C)cc(C)c2)c1.
What is the InChIKey of 1,3-bis(3,5-dimethylphenyl)propan-1-one?
The InChIKey is LSBCDZSCLFHXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-13-7-14(2)10-17(9-13)5-6-19(20)18-11-15(3)8-16(4)12-18/h7-12H,5-6H2,1-4H3.
What are the key properties of 1,3-bis(3,5-dimethylphenyl)propan-1-one?
1,3-bis(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 1,3-bis(3,5-dimethylphenyl)propan-1-one is sourced from PubChem (CID 24726508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).