6-(2,5-dimethylphenyl)hexan-3-one

C14H20O — CID 64522526

IUPAC6-(2,5-dimethylphenyl)hexan-3-one
SMILESCCC(=O)CCCc1cc(C)ccc1C
InChIInChI=1S/C14H20O/c1-4-14(15)7-5-6-13-10-11(2)8-9-12(13)3/h8-10H,4-7H2,1-3H3
InChIKeyXJYHUQHRWMIRBB-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.61
Rot. Bonds5

About 6-(2,5-dimethylphenyl)hexan-3-one

6-(2,5-dimethylphenyl)hexan-3-one (PubChem CID 64522526) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 6-(2,5-dimethylphenyl)hexan-3-one.

Molecular Properties

Compound Name6-(2,5-dimethylphenyl)hexan-3-one
PubChem CID64522526
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name6-(2,5-dimethylphenyl)hexan-3-one
SMILESCCC(=O)CCCc1cc(C)ccc1C
InChIInChI=1S/C14H20O/c1-4-14(15)7-5-6-13-10-11(2)8-9-12(13)3/h8-10H,4-7H2,1-3H3
InChIKeyXJYHUQHRWMIRBB-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-[4-(2,5-dimethylphenyl)butanoyl-methylamino]acetic acid
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CID 62538353
1-(2-chloro-4-methylphenyl)heptan-4-one
CID 106870128
4-(2,5-dimethylphenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 98019491
dihydroxy(oxo)phosphanium;3-(2,5-dimethylphenyl)propanoic acid
CID 174848478
2-O-[2-(2,5-dimethylphenyl)ethyl] 1-O-ethyl oxalate
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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenyl)hexan-3-one?
The IUPAC name of 6-(2,5-dimethylphenyl)hexan-3-one (CID 64522526) is 6-(2,5-dimethylphenyl)hexan-3-one.
What is the SMILES notation for 6-(2,5-dimethylphenyl)hexan-3-one?
The canonical SMILES for 6-(2,5-dimethylphenyl)hexan-3-one is CCC(=O)CCCc1cc(C)ccc1C.
What is the InChIKey of 6-(2,5-dimethylphenyl)hexan-3-one?
The InChIKey is XJYHUQHRWMIRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-4-14(15)7-5-6-13-10-11(2)8-9-12(13)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 6-(2,5-dimethylphenyl)hexan-3-one?
6-(2,5-dimethylphenyl)hexan-3-one has a molecular weight of 204.31 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenyl)hexan-3-one is sourced from PubChem (CID 64522526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).