methyl 3-formyl-2,6-dihydroxy-4-methoxybenzoate

C10H10O6 — CID 71332014

IUPACmethyl 3-formyl-2,6-dihydroxy-4-methoxybenzoate
SMILESCOC(=O)c1c(O)cc(OC)c(C=O)c1O
InChIInChI=1S/C10H10O6/c1-15-7-3-6(12)8(10(14)16-2)9(13)5(7)4-11/h3-4,12-13H,1-2H3
InChIKeyBPQORJAUPSRFGU-UHFFFAOYSA-N
MW226.18 g/mol
LogP0.71
Rot. Bonds3

About methyl 3-formyl-2,6-dihydroxy-4-methoxybenzoate

methyl 3-formyl-2,6-dihydroxy-4-methoxybenzoate (PubChem CID 71332014) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is methyl 3-formyl-2,6-dihydroxy-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-formyl-2,6-dihydroxy-4-methoxybenzoate
PubChem CID71332014
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Namemethyl 3-formyl-2,6-dihydroxy-4-methoxybenzoate
SMILESCOC(=O)c1c(O)cc(OC)c(C=O)c1O
InChIInChI=1S/C10H10O6/c1-15-7-3-6(12)8(10(14)16-2)9(13)5(7)4-11/h3-4,12-13H,1-2H3
InChIKeyBPQORJAUPSRFGU-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

2,4-dihydroxy-3,6-dimethoxybenzaldehyde
CID 71365717
methyl 2,6-dihydroxy-4-(2-hydroxy-4,6-dimethoxy-3-methylbenzoyl)oxy-3-methylbenzoate
CID 100921037
3,6-dihydroxy-2,4-dimethoxybenzaldehyde
CID 24879948
methyl 2-formyl-6-hydroxy-3-methyl-4-(trifluoromethylsulfonyloxy)benzoate
CID 142962501
methyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate
CID 84691006
methyl 4-formyl-2,5-dihydroxy-3-methoxybenzoate
CID 134867532
methyl 5-chloro-3-formyl-2,4-dihydroxy-6-methylbenzoate
CID 6426724
dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate
CID 11790883
methyl 4-(2-formyl-3,4-dihydroxy-5-methoxyphenyl)benzoate
CID 172796965
methyl 2-formyl-6-methoxy-3-nitrobenzoate
CID 171023954
(4-formyl-3-hydroxy-5-methoxyphenyl) acetate
CID 141315375
methyl 2-formyl-6-methoxybenzoate
CID 12730360

Frequently Asked Questions

What is the IUPAC name of methyl 3-formyl-2,6-dihydroxy-4-methoxybenzoate?
The IUPAC name of methyl 3-formyl-2,6-dihydroxy-4-methoxybenzoate (CID 71332014) is methyl 3-formyl-2,6-dihydroxy-4-methoxybenzoate.
What is the SMILES notation for methyl 3-formyl-2,6-dihydroxy-4-methoxybenzoate?
The canonical SMILES for methyl 3-formyl-2,6-dihydroxy-4-methoxybenzoate is COC(=O)c1c(O)cc(OC)c(C=O)c1O.
What is the InChIKey of methyl 3-formyl-2,6-dihydroxy-4-methoxybenzoate?
The InChIKey is BPQORJAUPSRFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c1-15-7-3-6(12)8(10(14)16-2)9(13)5(7)4-11/h3-4,12-13H,1-2H3.
What are the key properties of methyl 3-formyl-2,6-dihydroxy-4-methoxybenzoate?
methyl 3-formyl-2,6-dihydroxy-4-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 3-formyl-2,6-dihydroxy-4-methoxybenzoate is sourced from PubChem (CID 71332014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).