4-(dimethoxymethyl)-3-hydroxybenzoic acid

C10H12O5 — CID 174492411

IUPAC4-(dimethoxymethyl)-3-hydroxybenzoic acid
SMILESCOC(OC)c1ccc(C(=O)O)cc1O
InChIInChI=1S/C10H12O5/c1-14-10(15-2)7-4-3-6(9(12)13)5-8(7)11/h3-5,10-11H,1-2H3,(H,12,13)
InChIKeyCLGXQSCNLDCWDY-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.38
Rot. Bonds4

About 4-(dimethoxymethyl)-3-hydroxybenzoic acid

4-(dimethoxymethyl)-3-hydroxybenzoic acid (PubChem CID 174492411) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(dimethoxymethyl)-3-hydroxybenzoic acid
PubChem CID174492411
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name4-(dimethoxymethyl)-3-hydroxybenzoic acid
SMILESCOC(OC)c1ccc(C(=O)O)cc1O
InChIInChI=1S/C10H12O5/c1-14-10(15-2)7-4-3-6(9(12)13)5-8(7)11/h3-5,10-11H,1-2H3,(H,12,13)
InChIKeyCLGXQSCNLDCWDY-UHFFFAOYSA-N
XLogP1.38
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-(dimethoxymethyl)-3-hydroxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-4-[(1R)-1-(methylamino)ethyl]benzoic acid
CID 55276123
3-hydroxy-4-methoxybenzoic acid
CID 12575
4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-3-hydroxybenzoic acid
CID 171866460
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-3-hydroxybenzoic acid
CID 66511169
4-(1-amino-2-hydroxyethyl)-3-hydroxybenzoic acid
CID 55273418
3-hydroxy-4-methoxybenzoic acid;molecular hydrogen
CID 50930804
4-[(1S)-1-aminoprop-2-enyl]-3-hydroxybenzoic acid
CID 130614743
4-(4-ethoxy-1,2-dihydroxy-4-oxobutyl)-3-hydroxybenzoic acid
CID 171897743
3-methoxy-4-propan-2-ylbenzoic acid
CID 20750185
benzene;3,4-dihydroxybenzoic acid
CID 175073097
bis(3,4-dihydroxybenzoic acid);zirconium
CID 23558402
3-(dimethoxymethyl)-2-methyl-1H-indole-5-carboxylic acid
CID 21231109

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-3-hydroxybenzoic acid?
The IUPAC name of 4-(dimethoxymethyl)-3-hydroxybenzoic acid (CID 174492411) is 4-(dimethoxymethyl)-3-hydroxybenzoic acid.
What is the SMILES notation for 4-(dimethoxymethyl)-3-hydroxybenzoic acid?
The canonical SMILES for 4-(dimethoxymethyl)-3-hydroxybenzoic acid is COC(OC)c1ccc(C(=O)O)cc1O.
What is the InChIKey of 4-(dimethoxymethyl)-3-hydroxybenzoic acid?
The InChIKey is CLGXQSCNLDCWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-14-10(15-2)7-4-3-6(9(12)13)5-8(7)11/h3-5,10-11H,1-2H3,(H,12,13).
What are the key properties of 4-(dimethoxymethyl)-3-hydroxybenzoic acid?
4-(dimethoxymethyl)-3-hydroxybenzoic acid has a molecular weight of 212.20 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-3-hydroxybenzoic acid is sourced from PubChem (CID 174492411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).