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

C14H20O — CID 62548356

IUPAC1-(2,3-dimethylphenyl)-4-methylpentan-1-one
SMILESCc1cccc(C(=O)CCC(C)C)c1C
InChIInChI=1S/C14H20O/c1-10(2)8-9-14(15)13-7-5-6-11(3)12(13)4/h5-7,10H,8-9H2,1-4H3
InChIKeyAWUZPMHGDCLNNJ-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.92
Rot. Bonds4

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

1-(2,3-dimethylphenyl)-4-methylpentan-1-one (PubChem CID 62548356) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-methylpentan-1-one
PubChem CID62548356
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-(2,3-dimethylphenyl)-4-methylpentan-1-one
SMILESCc1cccc(C(=O)CCC(C)C)c1C
InChIInChI=1S/C14H20O/c1-10(2)8-9-14(15)13-7-5-6-11(3)12(13)4/h5-7,10H,8-9H2,1-4H3
InChIKeyAWUZPMHGDCLNNJ-UHFFFAOYSA-N
XLogP3.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3-methylphenyl)-4-methylpentan-1-one
CID 107984447
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4-(2-aminoethyl)-1-(2,3-dimethylphenyl)-5,5-dimethylhexan-1-one
CID 116578434
5-methyl-1-(2-methylphenyl)hexan-1-one
CID 83157538
1,3-bis(2,3-dimethylphenyl)propan-1-one
CID 24726238
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
3-cyclopentyl-1-(2,3-dimethylphenyl)propan-1-one
CID 114970182
1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-one
CID 62548173
1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one
CID 114973203
1-(2,3-dimethylphenyl)oct-7-en-1-one
CID 107011226

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-methylpentan-1-one?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-methylpentan-1-one (CID 62548356) is 1-(2,3-dimethylphenyl)-4-methylpentan-1-one.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-methylpentan-1-one?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-methylpentan-1-one is Cc1cccc(C(=O)CCC(C)C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-methylpentan-1-one?
The InChIKey is AWUZPMHGDCLNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-10(2)8-9-14(15)13-7-5-6-11(3)12(13)4/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-methylpentan-1-one?
1-(2,3-dimethylphenyl)-4-methylpentan-1-one has a molecular weight of 204.31 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-methylpentan-1-one is sourced from PubChem (CID 62548356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).