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

C19H22O — CID 24726238

IUPAC1,3-bis(2,3-dimethylphenyl)propan-1-one
SMILESCc1cccc(CCC(=O)c2cccc(C)c2C)c1C
InChIInChI=1S/C19H22O/c1-13-7-5-9-17(15(13)3)11-12-19(20)18-10-6-8-14(2)16(18)4/h5-10H,11-12H2,1-4H3
InChIKeyPUFCVMPLUORDTE-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.74
Rot. Bonds4

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

1,3-bis(2,3-dimethylphenyl)propan-1-one (PubChem CID 24726238) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 1,3-bis(2,3-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name1,3-bis(2,3-dimethylphenyl)propan-1-one
PubChem CID24726238
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name1,3-bis(2,3-dimethylphenyl)propan-1-one
SMILESCc1cccc(CCC(=O)c2cccc(C)c2C)c1C
InChIInChI=1S/C19H22O/c1-13-7-5-9-17(15(13)3)11-12-19(20)18-10-6-8-14(2)16(18)4/h5-10H,11-12H2,1-4H3
InChIKeyPUFCVMPLUORDTE-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-(2,4-difluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one
CID 24726261
3-(2,3-dimethylphenyl)-1-(3,4-dimethylphenyl)propan-1-one
CID 24726242
1-(4-bromo-2-fluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one
CID 24726252
1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one
CID 114973203
1-(2-hydroxyphenyl)-3-(2-methylphenyl)propan-1-one
CID 90102883
1-(2,3-dimethylphenyl)-4,4-dimethylpentan-3-one
CID 64502669
1-(2,3-dimethylphenyl)-4-methylpentan-1-one
CID 62548356
1-(2,3-dimethylphenyl)nonan-1-one
CID 112698774
1-(2,3-dimethylphenyl)-3-(ethylamino)propan-1-one
CID 116565761
1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-one
CID 102927472
2-(2-benzoylphenyl)-1-(2,3-dimethylphenyl)ethanone
CID 175001099
3-cyclopentyl-1-(2,3-dimethylphenyl)propan-1-one
CID 114970182

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,3-dimethylphenyl)propan-1-one?
The IUPAC name of 1,3-bis(2,3-dimethylphenyl)propan-1-one (CID 24726238) is 1,3-bis(2,3-dimethylphenyl)propan-1-one.
What is the SMILES notation for 1,3-bis(2,3-dimethylphenyl)propan-1-one?
The canonical SMILES for 1,3-bis(2,3-dimethylphenyl)propan-1-one is Cc1cccc(CCC(=O)c2cccc(C)c2C)c1C.
What is the InChIKey of 1,3-bis(2,3-dimethylphenyl)propan-1-one?
The InChIKey is PUFCVMPLUORDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-13-7-5-9-17(15(13)3)11-12-19(20)18-10-6-8-14(2)16(18)4/h5-10H,11-12H2,1-4H3.
What are the key properties of 1,3-bis(2,3-dimethylphenyl)propan-1-one?
1,3-bis(2,3-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(2,3-dimethylphenyl)propan-1-one is sourced from PubChem (CID 24726238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).