3-methyl-1-(2-methylphenyl)pentan-1-one

C13H18O — CID 62620781

IUPAC3-methyl-1-(2-methylphenyl)pentan-1-one
SMILESCCC(C)CC(=O)c1ccccc1C
InChIInChI=1S/C13H18O/c1-4-10(2)9-13(14)12-8-6-5-7-11(12)3/h5-8,10H,4,9H2,1-3H3
InChIKeyRCLPQAGETURJJM-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.61
Rot. Bonds4

About 3-methyl-1-(2-methylphenyl)pentan-1-one

3-methyl-1-(2-methylphenyl)pentan-1-one (PubChem CID 62620781) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-methyl-1-(2-methylphenyl)pentan-1-one.

Molecular Properties

Compound Name3-methyl-1-(2-methylphenyl)pentan-1-one
PubChem CID62620781
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name3-methyl-1-(2-methylphenyl)pentan-1-one
SMILESCCC(C)CC(=O)c1ccccc1C
InChIInChI=1S/C13H18O/c1-4-10(2)9-13(14)12-8-6-5-7-11(12)3/h5-8,10H,4,9H2,1-3H3
InChIKeyRCLPQAGETURJJM-UHFFFAOYSA-N
XLogP3.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(2-methylphenyl)-4-oxobutan-2-yl]phosphonic acid
CID 66796167
3-[ethyl(2-methylbutyl)amino]-1-(2-methylphenyl)propan-1-one
CID 79481123
3-methyl-1-(3-methylfuran-2-yl)pentan-1-one
CID 104799488
(3R)-4,4,4-trifluoro-3-hydroxy-1-(2-methylphenyl)butan-1-one
CID 53255011
5-methyl-1-(2-methylphenyl)hexane-1,4-dione
CID 58283906
2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone
CID 43795126
2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride
CID 178200159
1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43794597
5-methyl-1-(2-methylphenyl)hexan-1-one
CID 83157538
1,2-bis(2-methylphenyl)ethanone
CID 11345119
bis(1-(2-hydroxyphenyl)propan-1-one);3-methylpentane
CID 91487886
2-(1-iodoethoxy)-1-(2-methylphenyl)ethanone
CID 166958709

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylphenyl)pentan-1-one?
The IUPAC name of 3-methyl-1-(2-methylphenyl)pentan-1-one (CID 62620781) is 3-methyl-1-(2-methylphenyl)pentan-1-one.
What is the SMILES notation for 3-methyl-1-(2-methylphenyl)pentan-1-one?
The canonical SMILES for 3-methyl-1-(2-methylphenyl)pentan-1-one is CCC(C)CC(=O)c1ccccc1C.
What is the InChIKey of 3-methyl-1-(2-methylphenyl)pentan-1-one?
The InChIKey is RCLPQAGETURJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-4-10(2)9-13(14)12-8-6-5-7-11(12)3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylphenyl)pentan-1-one?
3-methyl-1-(2-methylphenyl)pentan-1-one has a molecular weight of 190.29 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylphenyl)pentan-1-one is sourced from PubChem (CID 62620781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).