2,4-dihydroxy-3,6-dimethoxybenzaldehyde

C9H10O5 — CID 71365717

IUPAC2,4-dihydroxy-3,6-dimethoxybenzaldehyde
SMILESCOc1cc(O)c(OC)c(O)c1C=O
InChIInChI=1S/C9H10O5/c1-13-7-3-6(11)9(14-2)8(12)5(7)4-10/h3-4,11-12H,1-2H3
InChIKeyCGKQZJCKLYVFPW-UHFFFAOYSA-N
MW198.17 g/mol
LogP0.93
Rot. Bonds3

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

2,4-dihydroxy-3,6-dimethoxybenzaldehyde (PubChem CID 71365717) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is 2,4-dihydroxy-3,6-dimethoxybenzaldehyde.

Molecular Properties

Compound Name2,4-dihydroxy-3,6-dimethoxybenzaldehyde
PubChem CID71365717
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name2,4-dihydroxy-3,6-dimethoxybenzaldehyde
SMILESCOc1cc(O)c(OC)c(O)c1C=O
InChIInChI=1S/C9H10O5/c1-13-7-3-6(11)9(14-2)8(12)5(7)4-10/h3-4,11-12H,1-2H3
InChIKeyCGKQZJCKLYVFPW-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'}

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Related Compounds

3,6-dihydroxy-2,4-dimethoxybenzaldehyde
CID 24879948
methyl 3-formyl-2,6-dihydroxy-4-methoxybenzoate
CID 71332014
3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde
CID 12652203
2-bromo-3,5-dihydroxy-4-methoxybenzaldehyde
CID 24769860
3,4-dihydroxy-2-methoxy-6-methylbenzaldehyde
CID 38359105
3-bromo-2-fluoro-6-hydroxy-4-methoxybenzaldehyde
CID 84706801
2,5-dimethoxy-3-methylbenzene-1,4-diol
CID 118620662
2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde
CID 10798490
2-chloro-4-hydroxy-3-methoxy-6-methylbenzaldehyde
CID 105453176
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
2-hydroxy-3,6-dimethoxy-5-nitrobenzaldehyde
CID 66545661
3-hydroxy-5-methoxy-4-methylphthalaldehyde
CID 86129442

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-3,6-dimethoxybenzaldehyde?
The IUPAC name of 2,4-dihydroxy-3,6-dimethoxybenzaldehyde (CID 71365717) is 2,4-dihydroxy-3,6-dimethoxybenzaldehyde.
What is the SMILES notation for 2,4-dihydroxy-3,6-dimethoxybenzaldehyde?
The canonical SMILES for 2,4-dihydroxy-3,6-dimethoxybenzaldehyde is COc1cc(O)c(OC)c(O)c1C=O.
What is the InChIKey of 2,4-dihydroxy-3,6-dimethoxybenzaldehyde?
The InChIKey is CGKQZJCKLYVFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5/c1-13-7-3-6(11)9(14-2)8(12)5(7)4-10/h3-4,11-12H,1-2H3.
What are the key properties of 2,4-dihydroxy-3,6-dimethoxybenzaldehyde?
2,4-dihydroxy-3,6-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 2,4-dihydroxy-3,6-dimethoxybenzaldehyde is sourced from PubChem (CID 71365717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).