6-(2,5-dimethoxyphenyl)-2-methyl-6-oxohexanoic acid

C15H20O5 — CID 70041189

IUPAC6-(2,5-dimethoxyphenyl)-2-methyl-6-oxohexanoic acid
SMILESCOc1ccc(OC)c(C(=O)CCCC(C)C(=O)O)c1
InChIInChI=1S/C15H20O5/c1-10(15(17)18)5-4-6-13(16)12-9-11(19-2)7-8-14(12)20-3/h7-10H,4-6H2,1-3H3,(H,17,18)
InChIKeyUQHLHOHICBIILE-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.78
Rot. Bonds8

About 6-(2,5-dimethoxyphenyl)-2-methyl-6-oxohexanoic acid

6-(2,5-dimethoxyphenyl)-2-methyl-6-oxohexanoic acid (PubChem CID 70041189) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)-2-methyl-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)-2-methyl-6-oxohexanoic acid
PubChem CID70041189
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name6-(2,5-dimethoxyphenyl)-2-methyl-6-oxohexanoic acid
SMILESCOc1ccc(OC)c(C(=O)CCCC(C)C(=O)O)c1
InChIInChI=1S/C15H20O5/c1-10(15(17)18)5-4-6-13(16)12-9-11(19-2)7-8-14(12)20-3/h7-10H,4-6H2,1-3H3,(H,17,18)
InChIKeyUQHLHOHICBIILE-UHFFFAOYSA-N
XLogP2.78
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one
CID 115795487
5-chloro-1-(2,5-dimethoxyphenyl)pentan-1-one
CID 18931430
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
1-(2,5-dimethoxyphenyl)pentane-1,4-dione
CID 43608296
6-amino-1-(2,5-dimethoxyphenyl)-2-methylheptan-1-one
CID 116574273
2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid
CID 43387107
3-(2,5-dimethoxyphenyl)-3-oxopropane-1-sulfonic acid
CID 94698323
1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one
CID 105098345
5-amino-1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 116610213
1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbutan-1-one
CID 105098364
methyl 4-(2-methoxy-5-propan-2-yloxyphenyl)-4-oxobutanoate
CID 82553026
1-(2,5-dimethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 60625228

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)-2-methyl-6-oxohexanoic acid?
The IUPAC name of 6-(2,5-dimethoxyphenyl)-2-methyl-6-oxohexanoic acid (CID 70041189) is 6-(2,5-dimethoxyphenyl)-2-methyl-6-oxohexanoic acid.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)-2-methyl-6-oxohexanoic acid?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)-2-methyl-6-oxohexanoic acid is COc1ccc(OC)c(C(=O)CCCC(C)C(=O)O)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)-2-methyl-6-oxohexanoic acid?
The InChIKey is UQHLHOHICBIILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-10(15(17)18)5-4-6-13(16)12-9-11(19-2)7-8-14(12)20-3/h7-10H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 6-(2,5-dimethoxyphenyl)-2-methyl-6-oxohexanoic acid?
6-(2,5-dimethoxyphenyl)-2-methyl-6-oxohexanoic acid has a molecular weight of 280.32 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)-2-methyl-6-oxohexanoic acid is sourced from PubChem (CID 70041189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).