3-hydroxy-5-methoxy-4-methylphthalaldehyde

C10H10O4 — CID 86129442

IUPAC3-hydroxy-5-methoxy-4-methylphthalaldehyde
SMILESCOc1cc(C=O)c(C=O)c(O)c1C
InChIInChI=1S/C10H10O4/c1-6-9(14-2)3-7(4-11)8(5-12)10(6)13/h3-5,13H,1-2H3
InChIKeyXZYCMHJVVYMDFJ-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.33
Rot. Bonds3

About 3-hydroxy-5-methoxy-4-methylphthalaldehyde

3-hydroxy-5-methoxy-4-methylphthalaldehyde (PubChem CID 86129442) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-hydroxy-5-methoxy-4-methylphthalaldehyde.

Molecular Properties

Compound Name3-hydroxy-5-methoxy-4-methylphthalaldehyde
PubChem CID86129442
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name3-hydroxy-5-methoxy-4-methylphthalaldehyde
SMILESCOc1cc(C=O)c(C=O)c(O)c1C
InChIInChI=1S/C10H10O4/c1-6-9(14-2)3-7(4-11)8(5-12)10(6)13/h3-5,13H,1-2H3
InChIKeyXZYCMHJVVYMDFJ-UHFFFAOYSA-N
XLogP1.33
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-hydroxy-5-methoxy-4-methylphthalaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethoxy-2,6-dimethylphenol
CID 25145990
3-formyl-5-methoxy-4-methylbenzenesulfonyl chloride
CID 171022027
3,5-dimethoxy-2-methylbenzaldehyde
CID 10214428
2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde
CID 520452
2-hydroxy-3,5-dimethoxybenzaldehyde
CID 7172046
2-acetyl-3,4-dihydroxy-5-methoxybenzaldehyde
CID 102396426
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
3,6-dihydroxy-2,4-dimethoxybenzaldehyde
CID 24879948
5-amino-2-hydroxy-3-methoxybenzaldehyde
CID 155701195
2,4-dihydroxy-3,6-dimethoxybenzaldehyde
CID 71365717
(2-formyl-3,5-dimethoxy-6-methylphenyl) acetate
CID 131861598
5-[2-(3-formyl-4-hydroxy-5-methoxyphenyl)ethyl]-2-hydroxy-3-methoxybenzaldehyde
CID 87078799

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methoxy-4-methylphthalaldehyde?
The IUPAC name of 3-hydroxy-5-methoxy-4-methylphthalaldehyde (CID 86129442) is 3-hydroxy-5-methoxy-4-methylphthalaldehyde.
What is the SMILES notation for 3-hydroxy-5-methoxy-4-methylphthalaldehyde?
The canonical SMILES for 3-hydroxy-5-methoxy-4-methylphthalaldehyde is COc1cc(C=O)c(C=O)c(O)c1C.
What is the InChIKey of 3-hydroxy-5-methoxy-4-methylphthalaldehyde?
The InChIKey is XZYCMHJVVYMDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-6-9(14-2)3-7(4-11)8(5-12)10(6)13/h3-5,13H,1-2H3.
What are the key properties of 3-hydroxy-5-methoxy-4-methylphthalaldehyde?
3-hydroxy-5-methoxy-4-methylphthalaldehyde has a molecular weight of 194.19 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methoxy-4-methylphthalaldehyde is sourced from PubChem (CID 86129442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).