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

C16H24O — CID 83928115

IUPAC6-(2,5-dimethylphenyl)octan-3-one
SMILESCCC(=O)CCC(CC)c1cc(C)ccc1C
InChIInChI=1S/C16H24O/c1-5-14(9-10-15(17)6-2)16-11-12(3)7-8-13(16)4/h7-8,11,14H,5-6,9-10H2,1-4H3
InChIKeyUEQCRUSKMLWIOW-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.56
Rot. Bonds6

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

6-(2,5-dimethylphenyl)octan-3-one (PubChem CID 83928115) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 6-(2,5-dimethylphenyl)octan-3-one.

Molecular Properties

Compound Name6-(2,5-dimethylphenyl)octan-3-one
PubChem CID83928115
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name6-(2,5-dimethylphenyl)octan-3-one
SMILESCCC(=O)CCC(CC)c1cc(C)ccc1C
InChIInChI=1S/C16H24O/c1-5-14(9-10-15(17)6-2)16-11-12(3)7-8-13(16)4/h7-8,11,14H,5-6,9-10H2,1-4H3
InChIKeyUEQCRUSKMLWIOW-UHFFFAOYSA-N
XLogP4.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2-bromo-4,5-dimethylphenyl)octan-3-one
CID 83921876
6-(4-methoxy-2,5-dimethylphenyl)octan-3-one
CID 83927787
5-(2,4-dimethylphenyl)heptan-2-one
CID 83927995
6-(2,5-dimethyl-4-propoxyphenyl)octan-3-one
CID 83940950
6-phenyloctan-3-one
CID 83936524
2-[2-(2,5-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid
CID 83928197
6-(5-methylthiophen-2-yl)octan-3-one
CID 83929256
6-(5-chloro-4-methyl-2-propoxyphenyl)octan-3-one
CID 83937736
3-amino-2-(2,5-dimethylphenyl)propan-1-ol
CID 82280728
6-(2,5-dimethylphenyl)hexan-3-one
CID 64522526
16-(2,4-dimethylphenyl)octadecanoic acid
CID 54024373
6-(2-fluoro-4,5-dimethoxyphenyl)octan-3-one
CID 83922709

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenyl)octan-3-one?
The IUPAC name of 6-(2,5-dimethylphenyl)octan-3-one (CID 83928115) is 6-(2,5-dimethylphenyl)octan-3-one.
What is the SMILES notation for 6-(2,5-dimethylphenyl)octan-3-one?
The canonical SMILES for 6-(2,5-dimethylphenyl)octan-3-one is CCC(=O)CCC(CC)c1cc(C)ccc1C.
What is the InChIKey of 6-(2,5-dimethylphenyl)octan-3-one?
The InChIKey is UEQCRUSKMLWIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-5-14(9-10-15(17)6-2)16-11-12(3)7-8-13(16)4/h7-8,11,14H,5-6,9-10H2,1-4H3.
What are the key properties of 6-(2,5-dimethylphenyl)octan-3-one?
6-(2,5-dimethylphenyl)octan-3-one has a molecular weight of 232.37 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenyl)octan-3-one is sourced from PubChem (CID 83928115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).