4-hydroxy-5-methoxy-2,3-dimethylbenzoic acid

C10H12O4 — CID 117285992

IUPAC4-hydroxy-5-methoxy-2,3-dimethylbenzoic acid
SMILESCOc1cc(C(=O)O)c(C)c(C)c1O
InChIInChI=1S/C10H12O4/c1-5-6(2)9(11)8(14-3)4-7(5)10(12)13/h4,11H,1-3H3,(H,12,13)
InChIKeyULCDMVOPVTULRT-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.72
Rot. Bonds2

About 4-hydroxy-5-methoxy-2,3-dimethylbenzoic acid

4-hydroxy-5-methoxy-2,3-dimethylbenzoic acid (PubChem CID 117285992) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 4-hydroxy-5-methoxy-2,3-dimethylbenzoic acid.

Molecular Properties

Compound Name4-hydroxy-5-methoxy-2,3-dimethylbenzoic acid
PubChem CID117285992
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name4-hydroxy-5-methoxy-2,3-dimethylbenzoic acid
SMILESCOc1cc(C(=O)O)c(C)c(C)c1O
InChIInChI=1S/C10H12O4/c1-5-6(2)9(11)8(14-3)4-7(5)10(12)13/h4,11H,1-3H3,(H,12,13)
InChIKeyULCDMVOPVTULRT-UHFFFAOYSA-N
XLogP1.72
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-6-methoxy-2,3-dimethylphenol
CID 58463229
4-hydroxy-5-methoxy-7-methyl-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid
CID 130407749
5-amino-2-hydroxy-3-methoxybenzoic acid
CID 50883012
4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
CID 162316978
2-hydroxy-3-methoxy-5-sulfobenzoic acid
CID 139951526
2-carboxy-4,5-dimethoxyphenolate
CID 86306376
5-amino-3-hydroxy-2,4-dimethylbenzoic acid
CID 105439220
4,5-dimethoxy-2-methoxycarbonylbenzoic acid
CID 23423205
3-amino-2-chloro-5-methoxy-4-methylbenzoic acid
CID 84681342
5-[carboxy(hydroxy)methyl]-2-hydroxy-3-methoxybenzoic acid
CID 117356941
2-amino-4,5-dihydroxybenzoic acid;2-amino-4,5-dimethoxybenzoic acid
CID 159164706
2-[3-(dimethylamino)propyl]-4-hydroxy-3,5-dimethoxybenzoic acid
CID 170549339

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methoxy-2,3-dimethylbenzoic acid?
The IUPAC name of 4-hydroxy-5-methoxy-2,3-dimethylbenzoic acid (CID 117285992) is 4-hydroxy-5-methoxy-2,3-dimethylbenzoic acid.
What is the SMILES notation for 4-hydroxy-5-methoxy-2,3-dimethylbenzoic acid?
The canonical SMILES for 4-hydroxy-5-methoxy-2,3-dimethylbenzoic acid is COc1cc(C(=O)O)c(C)c(C)c1O.
What is the InChIKey of 4-hydroxy-5-methoxy-2,3-dimethylbenzoic acid?
The InChIKey is ULCDMVOPVTULRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-5-6(2)9(11)8(14-3)4-7(5)10(12)13/h4,11H,1-3H3,(H,12,13).
What are the key properties of 4-hydroxy-5-methoxy-2,3-dimethylbenzoic acid?
4-hydroxy-5-methoxy-2,3-dimethylbenzoic acid has a molecular weight of 196.20 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methoxy-2,3-dimethylbenzoic acid is sourced from PubChem (CID 117285992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).