2-(2-methoxy-3,4-dimethylphenyl)hexanoic acid

C15H22O3 — CID 103434197

IUPAC2-(2-methoxy-3,4-dimethylphenyl)hexanoic acid
SMILESCCCCC(C(=O)O)c1ccc(C)c(C)c1OC
InChIInChI=1S/C15H22O3/c1-5-6-7-13(15(16)17)12-9-8-10(2)11(3)14(12)18-4/h8-9,13H,5-7H2,1-4H3,(H,16,17)
InChIKeyMLQMBGJWLOXJEP-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.67
Rot. Bonds6

About 2-(2-methoxy-3,4-dimethylphenyl)hexanoic acid

2-(2-methoxy-3,4-dimethylphenyl)hexanoic acid (PubChem CID 103434197) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(2-methoxy-3,4-dimethylphenyl)hexanoic acid.

Molecular Properties

Compound Name2-(2-methoxy-3,4-dimethylphenyl)hexanoic acid
PubChem CID103434197
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-(2-methoxy-3,4-dimethylphenyl)hexanoic acid
SMILESCCCCC(C(=O)O)c1ccc(C)c(C)c1OC
InChIInChI=1S/C15H22O3/c1-5-6-7-13(15(16)17)12-9-8-10(2)11(3)14(12)18-4/h8-9,13H,5-7H2,1-4H3,(H,16,17)
InChIKeyMLQMBGJWLOXJEP-UHFFFAOYSA-N
XLogP3.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluoro-4-methylphenyl)hexanoic acid
CID 107514223
1-(2-methoxy-3,4-dimethylphenyl)decan-1-ol
CID 103435642
methyl 2-(2-methoxy-3,4-dimethylphenyl)butanoate
CID 103434208
2-(2,4-dimethylphenyl)hexanoic acid
CID 69334667
1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433382
2-(2,6-dimethylphenyl)hexanoic acid
CID 66815407
1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine
CID 103435574
2-(2-methoxy-4,6-dimethylphenyl)hexanoic acid
CID 106681199
1-(2-methoxy-3,4-dimethylphenyl)-4-methylpentan-1-ol
CID 103433099
2-naphthalen-1-yldodecanoic acid
CID 23333439
1-(2-methoxy-3,4-dimethylphenyl)heptan-1-one
CID 103435068
2-(2-amino-5-methoxyphenyl)octanoic acid
CID 106987315

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3,4-dimethylphenyl)hexanoic acid?
The IUPAC name of 2-(2-methoxy-3,4-dimethylphenyl)hexanoic acid (CID 103434197) is 2-(2-methoxy-3,4-dimethylphenyl)hexanoic acid.
What is the SMILES notation for 2-(2-methoxy-3,4-dimethylphenyl)hexanoic acid?
The canonical SMILES for 2-(2-methoxy-3,4-dimethylphenyl)hexanoic acid is CCCCC(C(=O)O)c1ccc(C)c(C)c1OC.
What is the InChIKey of 2-(2-methoxy-3,4-dimethylphenyl)hexanoic acid?
The InChIKey is MLQMBGJWLOXJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-5-6-7-13(15(16)17)12-9-8-10(2)11(3)14(12)18-4/h8-9,13H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 2-(2-methoxy-3,4-dimethylphenyl)hexanoic acid?
2-(2-methoxy-3,4-dimethylphenyl)hexanoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3,4-dimethylphenyl)hexanoic acid is sourced from PubChem (CID 103434197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).