methyl 3,5-diformyl-2-hydroxybenzoate

C10H8O5 — CID 870121

IUPACmethyl 3,5-diformyl-2-hydroxybenzoate
SMILESCOC(=O)c1cc(C=O)cc(C=O)c1O
InChIInChI=1S/C10H8O5/c1-15-10(14)8-3-6(4-11)2-7(5-12)9(8)13/h2-5,13H,1H3
InChIKeyBMSUYILCRYEUCO-UHFFFAOYSA-N
MW208.17 g/mol
LogP0.80
Rot. Bonds3

About methyl 3,5-diformyl-2-hydroxybenzoate

methyl 3,5-diformyl-2-hydroxybenzoate (PubChem CID 870121) has the molecular formula C10H8O5 and a molecular weight of 208.17 g/mol. Its IUPAC name is methyl 3,5-diformyl-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3,5-diformyl-2-hydroxybenzoate
PubChem CID870121
Molecular FormulaC10H8O5
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Namemethyl 3,5-diformyl-2-hydroxybenzoate
SMILESCOC(=O)c1cc(C=O)cc(C=O)c1O
InChIInChI=1S/C10H8O5/c1-15-10(14)8-3-6(4-11)2-7(5-12)9(8)13/h2-5,13H,1H3
InChIKeyBMSUYILCRYEUCO-UHFFFAOYSA-N
XLogP0.80
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-formyl-2,4-dihydroxy-3-methoxybenzoate
CID 121215585
4-formyl-2-methoxycarbonylbenzoate
CID 170985787
methyl 2,3-difluoro-5-formylbenzoate
CID 115021891
methyl 3-bromo-2-chloro-5-formylbenzoate
CID 171024239
methyl 3-bromo-5-formyl-2-prop-2-enoxybenzoate
CID 155369523
methyl 3-formyl-4,5-dihydroxybenzoate
CID 163300874
dimethyl 5-formylbenzene-1,3-dicarboxylate
CID 15183982
2-methoxyethyl 3-bromo-5-formyl-2-hydroxybenzoate
CID 143324799
methyl 3-ethyl-2-fluoro-5-formylbenzoate
CID 164894561
4,5-dihydroxybenzene-1,3-dicarbaldehyde
CID 19069872
dimethyl 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylate
CID 170871811
2,5-diformyl-4-methoxycarbonylbenzoic acid;methoxymethane
CID 176556695

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-diformyl-2-hydroxybenzoate?
The IUPAC name of methyl 3,5-diformyl-2-hydroxybenzoate (CID 870121) is methyl 3,5-diformyl-2-hydroxybenzoate.
What is the SMILES notation for methyl 3,5-diformyl-2-hydroxybenzoate?
The canonical SMILES for methyl 3,5-diformyl-2-hydroxybenzoate is COC(=O)c1cc(C=O)cc(C=O)c1O.
What is the InChIKey of methyl 3,5-diformyl-2-hydroxybenzoate?
The InChIKey is BMSUYILCRYEUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O5/c1-15-10(14)8-3-6(4-11)2-7(5-12)9(8)13/h2-5,13H,1H3.
What are the key properties of methyl 3,5-diformyl-2-hydroxybenzoate?
methyl 3,5-diformyl-2-hydroxybenzoate has a molecular weight of 208.17 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-diformyl-2-hydroxybenzoate is sourced from PubChem (CID 870121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).