4-(3,5-dimethoxyphenyl)-2-hydroxybenzaldehyde

C15H14O4 — CID 53220512

IUPAC4-(3,5-dimethoxyphenyl)-2-hydroxybenzaldehyde
SMILESCOc1cc(OC)cc(-c2ccc(C=O)c(O)c2)c1
InChIInChI=1S/C15H14O4/c1-18-13-5-12(6-14(8-13)19-2)10-3-4-11(9-16)15(17)7-10/h3-9,17H,1-2H3
InChIKeyACUYLRQSUYJTEO-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.89
Rot. Bonds4

About 4-(3,5-dimethoxyphenyl)-2-hydroxybenzaldehyde

4-(3,5-dimethoxyphenyl)-2-hydroxybenzaldehyde (PubChem CID 53220512) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-2-hydroxybenzaldehyde
PubChem CID53220512
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name4-(3,5-dimethoxyphenyl)-2-hydroxybenzaldehyde
SMILESCOc1cc(OC)cc(-c2ccc(C=O)c(O)c2)c1
InChIInChI=1S/C15H14O4/c1-18-13-5-12(6-14(8-13)19-2)10-3-4-11(9-16)15(17)7-10/h3-9,17H,1-2H3
InChIKeyACUYLRQSUYJTEO-UHFFFAOYSA-N
XLogP2.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3,5-dimethoxyphenyl)-2-hydroxybenzaldehyde 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

4-(3,5-dimethylphenyl)-2-hydroxybenzaldehyde
CID 53220321
2-hydroxy-4-[4-[1,2,2-tris[4-(4-formyl-3-hydroxyphenyl)phenyl]ethenyl]phenyl]benzaldehyde
CID 172878726
[3-(3,4-dihydroxyphenyl)-5-methoxyphenyl] acetate
CID 71712205
1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene
CID 139197183
4-(3,4-difluorophenyl)-2-hydroxybenzaldehyde
CID 53220375
4-(2-fluoro-3-methoxyphenyl)-2-hydroxybenzaldehyde
CID 53220432
3-hydroxy-6-methoxynaphthalene-2-carbaldehyde
CID 130034455
4-(3-fluorophenyl)-2-hydroxybenzaldehyde
CID 53220290
2-[2-hydroxy-4-(3-methoxyphenyl)anilino]benzaldehyde;methanol
CID 156730130
3-(4-hydroxyphenyl)-2,5-dimethoxybenzaldehyde
CID 15369388
5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde
CID 53220437
2-hydroxy-4-methoxy-6-methylbenzaldehyde
CID 596815

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-2-hydroxybenzaldehyde?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-2-hydroxybenzaldehyde (CID 53220512) is 4-(3,5-dimethoxyphenyl)-2-hydroxybenzaldehyde.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-2-hydroxybenzaldehyde?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-2-hydroxybenzaldehyde is COc1cc(OC)cc(-c2ccc(C=O)c(O)c2)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-2-hydroxybenzaldehyde?
The InChIKey is ACUYLRQSUYJTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-18-13-5-12(6-14(8-13)19-2)10-3-4-11(9-16)15(17)7-10/h3-9,17H,1-2H3.
What are the key properties of 4-(3,5-dimethoxyphenyl)-2-hydroxybenzaldehyde?
4-(3,5-dimethoxyphenyl)-2-hydroxybenzaldehyde has a molecular weight of 258.27 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-2-hydroxybenzaldehyde is sourced from PubChem (CID 53220512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).