methyl 3,5-diformyl-4-hydroxybenzoate

C10H8O5 — CID 777725

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

About methyl 3,5-diformyl-4-hydroxybenzoate

methyl 3,5-diformyl-4-hydroxybenzoate (PubChem CID 777725) has the molecular formula C10H8O5 and a molecular weight of 208.17 g/mol. Its IUPAC name is methyl 3,5-diformyl-4-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3,5-diformyl-4-hydroxybenzoate
PubChem CID777725
Molecular FormulaC10H8O5
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Namemethyl 3,5-diformyl-4-hydroxybenzoate
SMILESCOC(=O)c1cc(C=O)c(O)c(C=O)c1
InChIInChI=1S/C10H8O5/c1-15-10(14)6-2-7(4-11)9(13)8(3-6)5-12/h2-5,13H,1H3
InChIKeyJNBXUZUEBXPEMC-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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Frequently Asked Questions

What is the IUPAC name of methyl 3,5-diformyl-4-hydroxybenzoate?
The IUPAC name of methyl 3,5-diformyl-4-hydroxybenzoate (CID 777725) is methyl 3,5-diformyl-4-hydroxybenzoate.
What is the SMILES notation for methyl 3,5-diformyl-4-hydroxybenzoate?
The canonical SMILES for methyl 3,5-diformyl-4-hydroxybenzoate is COC(=O)c1cc(C=O)c(O)c(C=O)c1.
What is the InChIKey of methyl 3,5-diformyl-4-hydroxybenzoate?
The InChIKey is JNBXUZUEBXPEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O5/c1-15-10(14)6-2-7(4-11)9(13)8(3-6)5-12/h2-5,13H,1H3.
What are the key properties of methyl 3,5-diformyl-4-hydroxybenzoate?
methyl 3,5-diformyl-4-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-4-hydroxybenzoate is sourced from PubChem (CID 777725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).