methyl 2-formyloxy-3-hydroxy-4,5-dimethoxybenzoate

C11H12O7 — CID 151440332

IUPACmethyl 2-formyloxy-3-hydroxy-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)c(O)c1OC=O
InChIInChI=1S/C11H12O7/c1-15-7-4-6(11(14)17-3)9(18-5-12)8(13)10(7)16-2/h4-5,13H,1-3H3
InChIKeyPEJLWJLTUPSQEO-UHFFFAOYSA-N
MW256.21 g/mol
LogP0.73
Rot. Bonds5

About methyl 2-formyloxy-3-hydroxy-4,5-dimethoxybenzoate

methyl 2-formyloxy-3-hydroxy-4,5-dimethoxybenzoate (PubChem CID 151440332) has the molecular formula C11H12O7 and a molecular weight of 256.21 g/mol. Its IUPAC name is methyl 2-formyloxy-3-hydroxy-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-formyloxy-3-hydroxy-4,5-dimethoxybenzoate
PubChem CID151440332
Molecular FormulaC11H12O7
Molecular Weight256.21 g/mol
Exact Mass256.06
IUPAC Namemethyl 2-formyloxy-3-hydroxy-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)c(O)c1OC=O
InChIInChI=1S/C11H12O7/c1-15-7-4-6(11(14)17-3)9(18-5-12)8(13)10(7)16-2/h4-5,13H,1-3H3
InChIKeyPEJLWJLTUPSQEO-UHFFFAOYSA-N
XLogP0.73
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethoxy-2-methoxycarbonylbenzoic acid
CID 23423205
methyl 5-formyl-2,4-dihydroxy-3-methoxybenzoate
CID 121215585
dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate
CID 59569387
methyl 2-acetyl-4-hydroxy-5-methoxybenzoate
CID 58345568
methyl 2,4-dibromo-3,5-dimethoxybenzoate
CID 165356918
methyl 4-formyl-2,5-dihydroxy-3-methoxybenzoate
CID 134867532
dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate
CID 10494700
2-hydroxy-3,4,5-trimethoxy-N-methylbenzamide
CID 141383481
methyl 3-amino-4-hydroxy-2-methoxy-5-methylbenzoate
CID 84734505
methyl 2,3-dihydroxy-4-methoxybenzoate
CID 11694090
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339

Frequently Asked Questions

What is the IUPAC name of methyl 2-formyloxy-3-hydroxy-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-formyloxy-3-hydroxy-4,5-dimethoxybenzoate (CID 151440332) is methyl 2-formyloxy-3-hydroxy-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-formyloxy-3-hydroxy-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-formyloxy-3-hydroxy-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)c(O)c1OC=O.
What is the InChIKey of methyl 2-formyloxy-3-hydroxy-4,5-dimethoxybenzoate?
The InChIKey is PEJLWJLTUPSQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O7/c1-15-7-4-6(11(14)17-3)9(18-5-12)8(13)10(7)16-2/h4-5,13H,1-3H3.
What are the key properties of methyl 2-formyloxy-3-hydroxy-4,5-dimethoxybenzoate?
methyl 2-formyloxy-3-hydroxy-4,5-dimethoxybenzoate has a molecular weight of 256.21 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-formyloxy-3-hydroxy-4,5-dimethoxybenzoate is sourced from PubChem (CID 151440332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).