5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid

C16H16O4 — CID 116810848

IUPAC5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid
SMILESCOc1cccc(OC)c1-c1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C16H16O4/c1-10-7-8-11(9-12(10)16(17)18)15-13(19-2)5-4-6-14(15)20-3/h4-9H,1-3H3,(H,17,18)
InChIKeyASORUNJYUQUSQA-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.38
Rot. Bonds4

About 5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid

5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid (PubChem CID 116810848) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid
PubChem CID116810848
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid
SMILESCOc1cccc(OC)c1-c1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C16H16O4/c1-10-7-8-11(9-12(10)16(17)18)15-13(19-2)5-4-6-14(15)20-3/h4-9H,1-3H3,(H,17,18)
InChIKeyASORUNJYUQUSQA-UHFFFAOYSA-N
XLogP3.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-(4-methylphenyl)benzoic acid
CID 22418016
3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid
CID 116810858
3-methoxy-2-(3-methoxyphenyl)benzoic acid
CID 19594928
2-methyl-5-(3-methylphenyl)benzoic acid
CID 65309585
2-(6-hydroxynaphthalen-2-yl)-3-methoxybenzoic acid
CID 123626157
5-(2,6-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 116810851
5-(3,4-dimethylphenyl)-2,3-dimethoxybenzoic acid
CID 82107051
2-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoic acid
CID 106681041
3-(3-methoxy-4-methylphenyl)benzoic acid
CID 53216637
[2-methoxy-5-[2-[2-[3-(2-methoxybenzoyl)-4-methylphenyl]phenyl]phenyl]phenyl]-(2-methylphenyl)methanone
CID 144622608
3-(2,6-dimethoxyphenyl)benzenesulfonic acid
CID 87742445
2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid
CID 53226287

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid (CID 116810848) is 5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid is COc1cccc(OC)c1-c1ccc(C)c(C(=O)O)c1.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid?
The InChIKey is ASORUNJYUQUSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-10-7-8-11(9-12(10)16(17)18)15-13(19-2)5-4-6-14(15)20-3/h4-9H,1-3H3,(H,17,18).
What are the key properties of 5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid?
5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid has a molecular weight of 272.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid is sourced from PubChem (CID 116810848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).