2-(carboxymethyl)-6-methoxy-4-methylbenzoic acid

C11H12O5 — CID 13308736

IUPAC2-(carboxymethyl)-6-methoxy-4-methylbenzoic acid
SMILESCOc1cc(C)cc(CC(=O)O)c1C(=O)O
InChIInChI=1S/C11H12O5/c1-6-3-7(5-9(12)13)10(11(14)15)8(4-6)16-2/h3-4H,5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyNSRDSYXMVYMGDG-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.33
Rot. Bonds4

About 2-(carboxymethyl)-6-methoxy-4-methylbenzoic acid

2-(carboxymethyl)-6-methoxy-4-methylbenzoic acid (PubChem CID 13308736) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-(carboxymethyl)-6-methoxy-4-methylbenzoic acid.

Molecular Properties

Compound Name2-(carboxymethyl)-6-methoxy-4-methylbenzoic acid
PubChem CID13308736
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name2-(carboxymethyl)-6-methoxy-4-methylbenzoic acid
SMILESCOc1cc(C)cc(CC(=O)O)c1C(=O)O
InChIInChI=1S/C11H12O5/c1-6-3-7(5-9(12)13)10(11(14)15)8(4-6)16-2/h3-4H,5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyNSRDSYXMVYMGDG-UHFFFAOYSA-N
XLogP1.33
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxy-2,5-dimethylphenyl)acetic acid
CID 118998759
3-methoxy-5-methylphthalic acid
CID 12908895
2-bromo-6-methoxy-4-methylbenzoic acid
CID 84802763
5-(2-methoxy-4,6-dimethylphenyl)-5-oxopentanoic acid
CID 98784357
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
2-(4-methoxy-2,6-dimethylquinolin-8-yl)acetic acid
CID 82575003
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
2-(4,5-dihydroxy-2-methoxyphenyl)acetic acid
CID 141381031
methyl 2-(2-ethyl-6-methoxy-4-methylphenyl)acetate
CID 59302016
2-chloro-6-methoxy-4-methylbenzoyl chloride
CID 171008459
2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid
CID 151960724
2,4-dimethoxy-6-(2-oxoheptyl)benzoic acid
CID 86198434

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethyl)-6-methoxy-4-methylbenzoic acid?
The IUPAC name of 2-(carboxymethyl)-6-methoxy-4-methylbenzoic acid (CID 13308736) is 2-(carboxymethyl)-6-methoxy-4-methylbenzoic acid.
What is the SMILES notation for 2-(carboxymethyl)-6-methoxy-4-methylbenzoic acid?
The canonical SMILES for 2-(carboxymethyl)-6-methoxy-4-methylbenzoic acid is COc1cc(C)cc(CC(=O)O)c1C(=O)O.
What is the InChIKey of 2-(carboxymethyl)-6-methoxy-4-methylbenzoic acid?
The InChIKey is NSRDSYXMVYMGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-6-3-7(5-9(12)13)10(11(14)15)8(4-6)16-2/h3-4H,5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(carboxymethyl)-6-methoxy-4-methylbenzoic acid?
2-(carboxymethyl)-6-methoxy-4-methylbenzoic acid has a molecular weight of 224.21 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethyl)-6-methoxy-4-methylbenzoic acid is sourced from PubChem (CID 13308736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).