3-methoxy-5-methylphthalic acid

C10H10O5 — CID 12908895

IUPAC3-methoxy-5-methylphthalic acid
SMILESCOc1cc(C)cc(C(=O)O)c1C(=O)O
InChIInChI=1S/C10H10O5/c1-5-3-6(9(11)12)8(10(13)14)7(4-5)15-2/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChIKeyFKJORNYLBXVNBF-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.40
Rot. Bonds3

About 3-methoxy-5-methylphthalic acid

3-methoxy-5-methylphthalic acid (PubChem CID 12908895) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is 3-methoxy-5-methylphthalic acid.

Molecular Properties

Compound Name3-methoxy-5-methylphthalic acid
PubChem CID12908895
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name3-methoxy-5-methylphthalic acid
SMILESCOc1cc(C)cc(C(=O)O)c1C(=O)O
InChIInChI=1S/C10H10O5/c1-5-3-6(9(11)12)8(10(13)14)7(4-5)15-2/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChIKeyFKJORNYLBXVNBF-UHFFFAOYSA-N
XLogP1.40
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-methoxy-4-methylbenzoic acid
CID 84802763
2-(carboxymethyl)-6-methoxy-4-methylbenzoic acid
CID 13308736
2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
CID 59710724
3-methoxy-5-methyl-2-(trifluoromethylsulfonyloxy)benzoic acid
CID 10990645
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 106681983
2-fluoro-6-methoxy-4-methylbenzoyl chloride
CID 171014950
5-methyl-3-propan-2-ylphthalic acid
CID 121008576
5-methoxypyridine-3,4-dicarboxylic acid
CID 15257827
2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-6-methoxy-4-methylbenzoic acid
CID 139583434
2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid
CID 151960724
2-chloro-6-methoxy-4-methylbenzoyl chloride
CID 171008459
1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane
CID 144776470

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methylphthalic acid?
The IUPAC name of 3-methoxy-5-methylphthalic acid (CID 12908895) is 3-methoxy-5-methylphthalic acid.
What is the SMILES notation for 3-methoxy-5-methylphthalic acid?
The canonical SMILES for 3-methoxy-5-methylphthalic acid is COc1cc(C)cc(C(=O)O)c1C(=O)O.
What is the InChIKey of 3-methoxy-5-methylphthalic acid?
The InChIKey is FKJORNYLBXVNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-5-3-6(9(11)12)8(10(13)14)7(4-5)15-2/h3-4H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3-methoxy-5-methylphthalic acid?
3-methoxy-5-methylphthalic acid has a molecular weight of 210.18 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methylphthalic acid is sourced from PubChem (CID 12908895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).