methyl 4-formyl-2,5-dihydroxy-3-methoxybenzoate

C10H10O6 — CID 134867532

IUPACmethyl 4-formyl-2,5-dihydroxy-3-methoxybenzoate
SMILESCOC(=O)c1cc(O)c(C=O)c(OC)c1O
InChIInChI=1S/C10H10O6/c1-15-9-6(4-11)7(12)3-5(8(9)13)10(14)16-2/h3-4,12-13H,1-2H3
InChIKeyPEWFNACEIJDGGS-UHFFFAOYSA-N
MW226.18 g/mol
LogP0.71
Rot. Bonds3

About methyl 4-formyl-2,5-dihydroxy-3-methoxybenzoate

methyl 4-formyl-2,5-dihydroxy-3-methoxybenzoate (PubChem CID 134867532) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is methyl 4-formyl-2,5-dihydroxy-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-formyl-2,5-dihydroxy-3-methoxybenzoate
PubChem CID134867532
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Namemethyl 4-formyl-2,5-dihydroxy-3-methoxybenzoate
SMILESCOC(=O)c1cc(O)c(C=O)c(OC)c1O
InChIInChI=1S/C10H10O6/c1-15-9-6(4-11)7(12)3-5(8(9)13)10(14)16-2/h3-4,12-13H,1-2H3
InChIKeyPEWFNACEIJDGGS-UHFFFAOYSA-N
XLogP0.71
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

methyl 5-formyl-2,4-dihydroxy-3-methoxybenzoate
CID 121215585
3,6-dihydroxy-2,4-dimethoxybenzaldehyde
CID 24879948
3,4-dihydroxy-2-methoxy-6-methylbenzaldehyde
CID 38359105
methyl 3-formyl-2,6-dihydroxy-4-methoxybenzoate
CID 71332014
methyl 3,5-diformyl-2-hydroxybenzoate
CID 870121
3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde
CID 12652203
2,4-dihydroxy-3,6-dimethoxybenzaldehyde
CID 71365717
methyl 2-formyloxy-3-hydroxy-4,5-dimethoxybenzoate
CID 151440332
methyl 3-cyano-2-formyl-4-hydroxybenzoate
CID 131610035
methyl 2-bromo-4-formyl-5-hydroxybenzoate
CID 90036125
4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde
CID 121014751
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339

Frequently Asked Questions

What is the IUPAC name of methyl 4-formyl-2,5-dihydroxy-3-methoxybenzoate?
The IUPAC name of methyl 4-formyl-2,5-dihydroxy-3-methoxybenzoate (CID 134867532) is methyl 4-formyl-2,5-dihydroxy-3-methoxybenzoate.
What is the SMILES notation for methyl 4-formyl-2,5-dihydroxy-3-methoxybenzoate?
The canonical SMILES for methyl 4-formyl-2,5-dihydroxy-3-methoxybenzoate is COC(=O)c1cc(O)c(C=O)c(OC)c1O.
What is the InChIKey of methyl 4-formyl-2,5-dihydroxy-3-methoxybenzoate?
The InChIKey is PEWFNACEIJDGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c1-15-9-6(4-11)7(12)3-5(8(9)13)10(14)16-2/h3-4,12-13H,1-2H3.
What are the key properties of methyl 4-formyl-2,5-dihydroxy-3-methoxybenzoate?
methyl 4-formyl-2,5-dihydroxy-3-methoxybenzoate has a molecular weight of 226.18 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-formyl-2,5-dihydroxy-3-methoxybenzoate is sourced from PubChem (CID 134867532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).