3,4-dihydroxy-2-methoxy-6-methylbenzaldehyde

C9H10O4 — CID 38359105

IUPAC3,4-dihydroxy-2-methoxy-6-methylbenzaldehyde
SMILESCOc1c(O)c(O)cc(C)c1C=O
InChIInChI=1S/C9H10O4/c1-5-3-7(11)8(12)9(13-2)6(5)4-10/h3-4,11-12H,1-2H3
InChIKeyPAXJGFKMJPGJCC-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.23
Rot. Bonds2

About 3,4-dihydroxy-2-methoxy-6-methylbenzaldehyde

3,4-dihydroxy-2-methoxy-6-methylbenzaldehyde (PubChem CID 38359105) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 3,4-dihydroxy-2-methoxy-6-methylbenzaldehyde.

Molecular Properties

Compound Name3,4-dihydroxy-2-methoxy-6-methylbenzaldehyde
PubChem CID38359105
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name3,4-dihydroxy-2-methoxy-6-methylbenzaldehyde
SMILESCOc1c(O)c(O)cc(C)c1C=O
InChIInChI=1S/C9H10O4/c1-5-3-7(11)8(12)9(13-2)6(5)4-10/h3-4,11-12H,1-2H3
InChIKeyPAXJGFKMJPGJCC-UHFFFAOYSA-N
XLogP1.23
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-hydroxy-3-methoxy-6-methylbenzaldehyde
CID 105453176
3,6-dihydroxy-2,4-dimethoxybenzaldehyde
CID 24879948
2,4-dihydroxy-6-methylbenzene-1,3-dicarbaldehyde
CID 601986
2-hydroxy-4-methoxy-6-methylbenzaldehyde
CID 596815
2,4-dihydroxy-3,6-dimethoxybenzaldehyde
CID 71365717
4-hydroxy-2,3,6-trimethylbenzaldehyde
CID 11309702
3-chloro-2,4-dihydroxy-6-methylbenzaldehyde
CID 71334263
methyl 4-formyl-2,5-dihydroxy-3-methoxybenzoate
CID 134867532
2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde
CID 10798490
3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde
CID 12652203
4-methoxy-3,5-dimethylphenol
CID 643378
(2-formyl-5,6-dimethoxy-3-methylphenyl) 4-methylbenzenesulfonate
CID 59050783

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-2-methoxy-6-methylbenzaldehyde?
The IUPAC name of 3,4-dihydroxy-2-methoxy-6-methylbenzaldehyde (CID 38359105) is 3,4-dihydroxy-2-methoxy-6-methylbenzaldehyde.
What is the SMILES notation for 3,4-dihydroxy-2-methoxy-6-methylbenzaldehyde?
The canonical SMILES for 3,4-dihydroxy-2-methoxy-6-methylbenzaldehyde is COc1c(O)c(O)cc(C)c1C=O.
What is the InChIKey of 3,4-dihydroxy-2-methoxy-6-methylbenzaldehyde?
The InChIKey is PAXJGFKMJPGJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-5-3-7(11)8(12)9(13-2)6(5)4-10/h3-4,11-12H,1-2H3.
What are the key properties of 3,4-dihydroxy-2-methoxy-6-methylbenzaldehyde?
3,4-dihydroxy-2-methoxy-6-methylbenzaldehyde has a molecular weight of 182.17 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-2-methoxy-6-methylbenzaldehyde is sourced from PubChem (CID 38359105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).