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

C14H20O — CID 64715296

IUPAC4-(3,5-dimethylphenyl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)(C)c1cc(C)cc(C)c1
InChIInChI=1S/C14H20O/c1-10-6-11(2)8-13(7-10)14(4,5)9-12(3)15/h6-8H,9H2,1-5H3
InChIKeyPCIPNTUSINMLRU-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.56
Rot. Bonds3

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

4-(3,5-dimethylphenyl)-4-methylpentan-2-one (PubChem CID 64715296) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-4-methylpentan-2-one
PubChem CID64715296
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name4-(3,5-dimethylphenyl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)(C)c1cc(C)cc(C)c1
InChIInChI=1S/C14H20O/c1-10-6-11(2)8-13(7-10)14(4,5)9-12(3)15/h6-8H,9H2,1-5H3
InChIKeyPCIPNTUSINMLRU-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-fluoro-5-methylphenyl)-4-methylpentan-2-one
CID 79704554
5-(3,5-dimethylphenyl)-4,4-dimethylpentan-2-one
CID 64716140
4-(5-tert-butyl-2-methylphenyl)-4-methylpentan-2-one
CID 82086313
4-(2-aminooxy-4,6-dimethylphenyl)-4-methylpentan-2-one
CID 163410720
[3,5-dimethyl-2-(2-methyl-4-oxopentan-2-yl)phenyl] formate
CID 171526449
4,4-difluoro-4-(3-methylphenyl)butan-2-one
CID 105451355
4-[2,4-dimethyl-6-(2-methylprop-2-enoxy)phenyl]-4-methylpentan-2-one
CID 153346340
(E)-4-[[(2S)-2-[[3-(3,5-dimethylphenyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2-methylbut-2-enoic acid
CID 142877281
(2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol
CID 130775708
ethyl 2,2-bis(3,5-dimethylphenyl)-2-methoxyacetate
CID 54018003
1-[2-(3,5-dimethylphenyl)-1,1,2,2-tetrafluoroethyl]-3,5-dimethylbenzene
CID 139607359
2-(3,5-dimethylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62596445

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-4-methylpentan-2-one?
The IUPAC name of 4-(3,5-dimethylphenyl)-4-methylpentan-2-one (CID 64715296) is 4-(3,5-dimethylphenyl)-4-methylpentan-2-one.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-4-methylpentan-2-one?
The canonical SMILES for 4-(3,5-dimethylphenyl)-4-methylpentan-2-one is CC(=O)CC(C)(C)c1cc(C)cc(C)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-4-methylpentan-2-one?
The InChIKey is PCIPNTUSINMLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-10-6-11(2)8-13(7-10)14(4,5)9-12(3)15/h6-8H,9H2,1-5H3.
What are the key properties of 4-(3,5-dimethylphenyl)-4-methylpentan-2-one?
4-(3,5-dimethylphenyl)-4-methylpentan-2-one has a molecular weight of 204.31 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-4-methylpentan-2-one is sourced from PubChem (CID 64715296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).