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

C10H10O6 — CID 121215585

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

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

methyl 5-formyl-2,4-dihydroxy-3-methoxybenzoate (PubChem CID 121215585) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is methyl 5-formyl-2,4-dihydroxy-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-formyl-2,4-dihydroxy-3-methoxybenzoate
PubChem CID121215585
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Namemethyl 5-formyl-2,4-dihydroxy-3-methoxybenzoate
SMILESCOC(=O)c1cc(C=O)c(O)c(OC)c1O
InChIInChI=1S/C10H10O6/c1-15-9-7(12)5(4-11)3-6(8(9)13)10(14)16-2/h3-4,12-13H,1-2H3
InChIKeyRZUISUDEVZRUKM-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'}

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Related Compounds

methyl 4-formyl-2,5-dihydroxy-3-methoxybenzoate
CID 134867532
methyl 3,5-diformyl-2-hydroxybenzoate
CID 870121
2,5-diformyl-4-methoxycarbonylbenzoic acid;methoxymethane
CID 176556695
methyl 2-chloro-5-formyl-4-hydroxybenzoate
CID 130063171
methyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate
CID 86118216
methyl 6-formyl-3-hydroxy-4-iodo-2-methoxybenzoate
CID 11393527
methyl 3-formyl-4,5-dihydroxybenzoate
CID 163300874
dimethyl 5-formyl-6-methoxypyridine-2,3-dicarboxylate
CID 15672399
methoxymethane;methyl 3,6,7-triformylnaphthalene-2-carboxylate
CID 144983878
3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84770629
methyl 2-formyloxy-3-hydroxy-4,5-dimethoxybenzoate
CID 151440332
6-hydroxy-7-methoxy-2,3-dimethyl-1-benzofuran-5-carbaldehyde
CID 82392798

Frequently Asked Questions

What is the IUPAC name of methyl 5-formyl-2,4-dihydroxy-3-methoxybenzoate?
The IUPAC name of methyl 5-formyl-2,4-dihydroxy-3-methoxybenzoate (CID 121215585) is methyl 5-formyl-2,4-dihydroxy-3-methoxybenzoate.
What is the SMILES notation for methyl 5-formyl-2,4-dihydroxy-3-methoxybenzoate?
The canonical SMILES for methyl 5-formyl-2,4-dihydroxy-3-methoxybenzoate is COC(=O)c1cc(C=O)c(O)c(OC)c1O.
What is the InChIKey of methyl 5-formyl-2,4-dihydroxy-3-methoxybenzoate?
The InChIKey is RZUISUDEVZRUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c1-15-9-7(12)5(4-11)3-6(8(9)13)10(14)16-2/h3-4,12-13H,1-2H3.
What are the key properties of methyl 5-formyl-2,4-dihydroxy-3-methoxybenzoate?
methyl 5-formyl-2,4-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 5-formyl-2,4-dihydroxy-3-methoxybenzoate is sourced from PubChem (CID 121215585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).