5-methyl-1-(2-methylphenyl)hexan-1-one

C14H20O — CID 83157538

IUPAC5-methyl-1-(2-methylphenyl)hexan-1-one
SMILESCc1ccccc1C(=O)CCCC(C)C
InChIInChI=1S/C14H20O/c1-11(2)7-6-10-14(15)13-9-5-4-8-12(13)3/h4-5,8-9,11H,6-7,10H2,1-3H3
InChIKeySCMSSYDBXZBRLF-UHFFFAOYSA-N
MW204.31 g/mol
LogP4.00
Rot. Bonds5

About 5-methyl-1-(2-methylphenyl)hexan-1-one

5-methyl-1-(2-methylphenyl)hexan-1-one (PubChem CID 83157538) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 5-methyl-1-(2-methylphenyl)hexan-1-one.

Molecular Properties

Compound Name5-methyl-1-(2-methylphenyl)hexan-1-one
PubChem CID83157538
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name5-methyl-1-(2-methylphenyl)hexan-1-one
SMILESCc1ccccc1C(=O)CCCC(C)C
InChIInChI=1S/C14H20O/c1-11(2)7-6-10-14(15)13-9-5-4-8-12(13)3/h4-5,8-9,11H,6-7,10H2,1-3H3
InChIKeySCMSSYDBXZBRLF-UHFFFAOYSA-N
XLogP4.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-fluoro-2-methylphenyl)-5-methylhexan-1-one
CID 83157845
5-methyl-1-(2-methylphenyl)hexane-1,4-dione
CID 58283906
8-(2-methylphenyl)-8-oxooctanoic acid
CID 24726897
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-methylphenyl)nonan-1-one
CID 63409672
1-(2,3-dimethylphenyl)-4-methylpentan-1-one
CID 62548356
1-(2-methylphenyl)-4-phenylbutan-1-one
CID 62621150
4-methylpentyl 2-methylbenzoate
CID 576918
1-(2-methylphenyl)-3-propan-2-yloxypropan-1-one
CID 114998408
1-(2-bromo-3-methylphenyl)-4-methylpentan-1-one
CID 107984447
6-methyl-1-phenylheptan-1-one
CID 64505975
3-[ethyl(2-methylbutyl)amino]-1-(2-methylphenyl)propan-1-one
CID 79481123

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylphenyl)hexan-1-one?
The IUPAC name of 5-methyl-1-(2-methylphenyl)hexan-1-one (CID 83157538) is 5-methyl-1-(2-methylphenyl)hexan-1-one.
What is the SMILES notation for 5-methyl-1-(2-methylphenyl)hexan-1-one?
The canonical SMILES for 5-methyl-1-(2-methylphenyl)hexan-1-one is Cc1ccccc1C(=O)CCCC(C)C.
What is the InChIKey of 5-methyl-1-(2-methylphenyl)hexan-1-one?
The InChIKey is SCMSSYDBXZBRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-11(2)7-6-10-14(15)13-9-5-4-8-12(13)3/h4-5,8-9,11H,6-7,10H2,1-3H3.
What are the key properties of 5-methyl-1-(2-methylphenyl)hexan-1-one?
5-methyl-1-(2-methylphenyl)hexan-1-one has a molecular weight of 204.31 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylphenyl)hexan-1-one is sourced from PubChem (CID 83157538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).