3-(2,5-dimethylphenyl)-4-methylpentan-2-one

C14H20O — CID 135184841

IUPAC3-(2,5-dimethylphenyl)-4-methylpentan-2-one
SMILESCC(=O)C(c1cc(C)ccc1C)C(C)C
InChIInChI=1S/C14H20O/c1-9(2)14(12(5)15)13-8-10(3)6-7-11(13)4/h6-9,14H,1-5H3
InChIKeyLTPDHCSJKHZETO-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.63
Rot. Bonds3

About 3-(2,5-dimethylphenyl)-4-methylpentan-2-one

3-(2,5-dimethylphenyl)-4-methylpentan-2-one (PubChem CID 135184841) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-4-methylpentan-2-one
PubChem CID135184841
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name3-(2,5-dimethylphenyl)-4-methylpentan-2-one
SMILESCC(=O)C(c1cc(C)ccc1C)C(C)C
InChIInChI=1S/C14H20O/c1-9(2)14(12(5)15)13-8-10(3)6-7-11(13)4/h6-9,14H,1-5H3
InChIKeyLTPDHCSJKHZETO-UHFFFAOYSA-N
XLogP3.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)-1-methoxypropan-2-one
CID 59492308
5-(2,5-dimethylphenyl)-6-methylheptan-2-one
CID 86148672
2-chloro-2-(2,5-dimethylphenyl)acetyl chloride
CID 150440716
2-(2,5-dimethylphenyl)-3-phenylbutanoic acid
CID 82140170
3-hydroxybutan-2-one;1,2,4-trimethylbenzene
CID 153375411
ethyl 2-(2,4-dimethylphenyl)-3-methylbutanoate
CID 55120967
3-(2,5-dimethylphenyl)-4-methylpentanamide
CID 82079612
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
2-[dimethylamino-(2,5-dimethylphenyl)methyl]-3-methylbutanoic acid
CID 116913158
1-(2,5-dimethylphenyl)-1-piperidin-1-ylpropan-2-one
CID 116860030
1-chloro-1-(2-hydroxy-5-methylphenyl)propan-2-one
CID 130777645
3-(2,5-dimethylphenyl)sulfinylbutan-2-one
CID 64636891

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-4-methylpentan-2-one?
The IUPAC name of 3-(2,5-dimethylphenyl)-4-methylpentan-2-one (CID 135184841) is 3-(2,5-dimethylphenyl)-4-methylpentan-2-one.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-4-methylpentan-2-one?
The canonical SMILES for 3-(2,5-dimethylphenyl)-4-methylpentan-2-one is CC(=O)C(c1cc(C)ccc1C)C(C)C.
What is the InChIKey of 3-(2,5-dimethylphenyl)-4-methylpentan-2-one?
The InChIKey is LTPDHCSJKHZETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-9(2)14(12(5)15)13-8-10(3)6-7-11(13)4/h6-9,14H,1-5H3.
What are the key properties of 3-(2,5-dimethylphenyl)-4-methylpentan-2-one?
3-(2,5-dimethylphenyl)-4-methylpentan-2-one has a molecular weight of 204.31 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-4-methylpentan-2-one is sourced from PubChem (CID 135184841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).