3,4-dimethyl-1-phenylpentan-1-one

C13H18O — CID 24976524

IUPAC3,4-dimethyl-1-phenylpentan-1-one
SMILESCC(C)C(C)CC(=O)c1ccccc1
InChIInChI=1S/C13H18O/c1-10(2)11(3)9-13(14)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
InChIKeyMEGULPTYCJHQBK-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.55
Rot. Bonds4

About 3,4-dimethyl-1-phenylpentan-1-one

3,4-dimethyl-1-phenylpentan-1-one (PubChem CID 24976524) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 3,4-dimethyl-1-phenylpentan-1-one.

Molecular Properties

Compound Name3,4-dimethyl-1-phenylpentan-1-one
PubChem CID24976524
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name3,4-dimethyl-1-phenylpentan-1-one
SMILESCC(C)C(C)CC(=O)c1ccccc1
InChIInChI=1S/C13H18O/c1-10(2)11(3)9-13(14)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
InChIKeyMEGULPTYCJHQBK-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S)-2-hydroxy-3-methyl-1,5-diphenylpentane-1,5-dione
CID 10802844
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
2,6-dimethylheptan-4-one;3-methyl-1-phenylbutan-1-one
CID 174883238
N,N,3-trimethyl-5-oxo-5-phenylpentanamide
CID 12640870
4-chloro-3-hydroxy-1-phenylpentan-1-one
CID 15327489
3-amino-4,4-dimethyl-1-phenylpentan-1-one
CID 116608460
(2S)-2-methyl-4-oxo-4-phenylbutanenitrile
CID 92981541
(3S,4R)-1,3,4-triphenylpentan-1-one
CID 101039537
3,3-bis(methylamino)-1-phenylpropan-1-one
CID 175140827
3-methyl-1-phenyl-4-trimethylsilylbutan-1-one
CID 101447394
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-phenylpentan-1-one?
The IUPAC name of 3,4-dimethyl-1-phenylpentan-1-one (CID 24976524) is 3,4-dimethyl-1-phenylpentan-1-one.
What is the SMILES notation for 3,4-dimethyl-1-phenylpentan-1-one?
The canonical SMILES for 3,4-dimethyl-1-phenylpentan-1-one is CC(C)C(C)CC(=O)c1ccccc1.
What is the InChIKey of 3,4-dimethyl-1-phenylpentan-1-one?
The InChIKey is MEGULPTYCJHQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-10(2)11(3)9-13(14)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 3,4-dimethyl-1-phenylpentan-1-one?
3,4-dimethyl-1-phenylpentan-1-one has a molecular weight of 190.29 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-phenylpentan-1-one is sourced from PubChem (CID 24976524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).