3,6-dihydroxy-2,4-dimethoxybenzaldehyde

C9H10O5 — CID 24879948

IUPAC3,6-dihydroxy-2,4-dimethoxybenzaldehyde
SMILESCOc1cc(O)c(C=O)c(OC)c1O
InChIInChI=1S/C9H10O5/c1-13-7-3-6(11)5(4-10)9(14-2)8(7)12/h3-4,11-12H,1-2H3
InChIKeyYGEADOSKHWOPKA-UHFFFAOYSA-N
MW198.17 g/mol
LogP0.93
Rot. Bonds3

About 3,6-dihydroxy-2,4-dimethoxybenzaldehyde

3,6-dihydroxy-2,4-dimethoxybenzaldehyde (PubChem CID 24879948) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is 3,6-dihydroxy-2,4-dimethoxybenzaldehyde.

Molecular Properties

Compound Name3,6-dihydroxy-2,4-dimethoxybenzaldehyde
PubChem CID24879948
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name3,6-dihydroxy-2,4-dimethoxybenzaldehyde
SMILESCOc1cc(O)c(C=O)c(OC)c1O
InChIInChI=1S/C9H10O5/c1-13-7-3-6(11)5(4-10)9(14-2)8(7)12/h3-4,11-12H,1-2H3
InChIKeyYGEADOSKHWOPKA-UHFFFAOYSA-N
XLogP0.93
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde
CID 12652203
2,4-dihydroxy-3,6-dimethoxybenzaldehyde
CID 71365717
methyl 4-formyl-2,5-dihydroxy-3-methoxybenzoate
CID 134867532
4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde
CID 121014751
3,4-dihydroxy-2-methoxy-6-methylbenzaldehyde
CID 38359105
2-hydroxy-3,6-dimethoxy-5-nitrobenzaldehyde
CID 66545661
3-bromo-2-fluoro-6-hydroxy-4-methoxybenzaldehyde
CID 84706801
methyl 3-formyl-2,6-dihydroxy-4-methoxybenzoate
CID 71332014
4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde
CID 12700191
2,5-dimethoxy-3-methylbenzene-1,4-diol
CID 118620662
3-ethoxy-6-hydroxy-2-methoxybenzaldehyde
CID 134891938
3,5-dimethoxy-2-(trifluoromethyl)benzene-1,4-diol
CID 163283549

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydroxy-2,4-dimethoxybenzaldehyde?
The IUPAC name of 3,6-dihydroxy-2,4-dimethoxybenzaldehyde (CID 24879948) is 3,6-dihydroxy-2,4-dimethoxybenzaldehyde.
What is the SMILES notation for 3,6-dihydroxy-2,4-dimethoxybenzaldehyde?
The canonical SMILES for 3,6-dihydroxy-2,4-dimethoxybenzaldehyde is COc1cc(O)c(C=O)c(OC)c1O.
What is the InChIKey of 3,6-dihydroxy-2,4-dimethoxybenzaldehyde?
The InChIKey is YGEADOSKHWOPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5/c1-13-7-3-6(11)5(4-10)9(14-2)8(7)12/h3-4,11-12H,1-2H3.
What are the key properties of 3,6-dihydroxy-2,4-dimethoxybenzaldehyde?
3,6-dihydroxy-2,4-dimethoxybenzaldehyde has a molecular weight of 198.17 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydroxy-2,4-dimethoxybenzaldehyde is sourced from PubChem (CID 24879948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).