4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid

C12H16O5 — CID 53442983

IUPAC4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid
SMILESCC(C)C(=O)O.COc1cc(C=O)ccc1O
InChIInChI=1S/C8H8O3.C4H8O2/c1-11-8-4-6(5-9)2-3-7(8)10;1-3(2)4(5)6/h2-5,10H,1H3;3H,1-2H3,(H,5,6)
InChIKeyGZBFNDILWKVRDT-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.94
Rot. Bonds3

About 4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid

4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid (PubChem CID 53442983) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid.

Molecular Properties

Compound Name4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid
PubChem CID53442983
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid
SMILESCC(C)C(=O)O.COc1cc(C=O)ccc1O
InChIInChI=1S/C8H8O3.C4H8O2/c1-11-8-4-6(5-9)2-3-7(8)10;1-3(2)4(5)6/h2-5,10H,1H3;3H,1-2H3,(H,5,6)
InChIKeyGZBFNDILWKVRDT-UHFFFAOYSA-N
XLogP1.94
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid 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

CID 130345281
CID 130345281
4-hydroxy-3-methoxybenzaldehyde;3-methylbutanoic acid
CID 134284747
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
CID 175414068
4-hydroxy-3-methoxybenzaldehyde;sulfuric acid
CID 174785740
4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol
CID 138752381
4-hydroxy-3-methoxybenzaldehyde;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 139058422
furan;4-hydroxy-3-methoxybenzaldehyde
CID 174443799
azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 25050146
2,3-bis[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy]butanedioic acid
CID 46202731
4-hydroxy-3-methoxybenzaldehyde;1-methyl-4-propan-2-ylcyclohexan-1-ol
CID 141401137
(4-formyl-2-methoxyphenyl) 2-methylpropanoate
CID 539829

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid?
The IUPAC name of 4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid (CID 53442983) is 4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid.
What is the SMILES notation for 4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid?
The canonical SMILES for 4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid is CC(C)C(=O)O.COc1cc(C=O)ccc1O.
What is the InChIKey of 4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid?
The InChIKey is GZBFNDILWKVRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C4H8O2/c1-11-8-4-6(5-9)2-3-7(8)10;1-3(2)4(5)6/h2-5,10H,1H3;3H,1-2H3,(H,5,6).
What are the key properties of 4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid?
4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid has a molecular weight of 240.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid is sourced from PubChem (CID 53442983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).