1-(2,5-dimethylphenyl)-4-methylpentan-2-one

C14H20O — CID 61481922

IUPAC1-(2,5-dimethylphenyl)-4-methylpentan-2-one
SMILESCc1ccc(C)c(CC(=O)CC(C)C)c1
InChIInChI=1S/C14H20O/c1-10(2)7-14(15)9-13-8-11(3)5-6-12(13)4/h5-6,8,10H,7,9H2,1-4H3
InChIKeyXTKJEXVOXXXKRM-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.46
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-4-methylpentan-2-one

1-(2,5-dimethylphenyl)-4-methylpentan-2-one (PubChem CID 61481922) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-methylpentan-2-one
PubChem CID61481922
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-(2,5-dimethylphenyl)-4-methylpentan-2-one
SMILESCc1ccc(C)c(CC(=O)CC(C)C)c1
InChIInChI=1S/C14H20O/c1-10(2)7-14(15)9-13-8-11(3)5-6-12(13)4/h5-6,8,10H,7,9H2,1-4H3
InChIKeyXTKJEXVOXXXKRM-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-5-methylphenyl)-4-methylpentan-2-one
CID 149183535
1-(2,5-dimethylphenyl)-5,6-dimethylheptan-2-one
CID 54101343
1-(2,5-dimethylphenyl)pentane-2,4-dione
CID 82076929
1-(2,5-dimethylphenyl)-3-hydroxybutan-2-one
CID 103451453
2,6-dimethylheptan-4-one;1,4-xylene
CID 70503285
1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965749
1-[4-[(2,5-dimethylphenyl)methylsulfanyl]phenyl]-3-methylbutan-1-one
CID 94780171
2-bromo-1-(2,5-dimethylphenyl)-4-methylpentan-3-one
CID 62394273
1-(2,5-dimethylphenyl)-3-(1,3-dioxolan-2-yl)propan-2-one
CID 103543612
2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone
CID 63411827
(2S)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid
CID 62538173
2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112704730

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-methylpentan-2-one?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-methylpentan-2-one (CID 61481922) is 1-(2,5-dimethylphenyl)-4-methylpentan-2-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-methylpentan-2-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-methylpentan-2-one is Cc1ccc(C)c(CC(=O)CC(C)C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-methylpentan-2-one?
The InChIKey is XTKJEXVOXXXKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-10(2)7-14(15)9-13-8-11(3)5-6-12(13)4/h5-6,8,10H,7,9H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-methylpentan-2-one?
1-(2,5-dimethylphenyl)-4-methylpentan-2-one has a molecular weight of 204.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-methylpentan-2-one is sourced from PubChem (CID 61481922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).