CAS 673-22-3|2-hydroxy-4-methoxybenzaldehyde|2-hydroxy-4-methoxybenzaldehyde|2-Hydroxy-4-methoxybenzaldehyde|2-Formyl-5-methoxyphenol|4-Formyl-3-hydroxyanisole|2-羟基-4-甲氧基苯甲醛|4-甲氧基水杨醛|2...

General Information

Structure

Molecular Formula

C₈H₈O₃

Molecular Mass

152.14732

Exact Mass

152.04734412

Charge

InChI

InChI=1S/C8H8O3/c1-11-7-3-2-6(5-9)8(10)4-7/h2-5,10H,1H3

InChIKey

WZUODJNEIXSNEU-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(c(c1)O)C=O

Isomeric Smiles

C(=O)c1c(cc(cc1)OC)O

Calculated Properties

JChem

Acid pKa

8.311417

H Acceptors

H Donor

LogD (pH = 5.5)

1.8738468

LogD (pH = 7.4)

1.8246818

Log P

1.8745116

Molar Refractivity

41.0861

Polarizability

15.363668

Polar Surface Area

46.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

2-hydroxy-4-methoxybenzaldehyde

Synonyms

2-Hydroxy-4-methoxybenzaldehyde4-Formyl-3-hydroxyanisole2-Formyl-5-methoxyphenol4-甲氧基水杨醛2-羟基-4-甲氧基苯甲醛2-Hydroxy-4-methoxybenzaldehyde4-Methoxysalicylaldehyde2-Hydroxy-p-anisaldehyde

IUPAC Traditional name

2-hydroxy-4-methoxybenzaldehyde

Names and Identifiers

Registration numbers

MDL Number

MFCD00003327

Beilstein Number

1072443

CAS Number

673-22-3

PubChem SID

2484988716203323324879459

EC Number

211-604-0

PubChem CID

69600

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

160695

Packaging
5, 25 g in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• Condensation with t-butyl acrylate results in cyclization to t-butyl 7-methoxychromene-3-carboxylate: J. Med. Chem., 36, 3580 (1993):

• With (Ethoxycarbonylmethylene)triphenylphosphorane, A12896, in N,N-diethylaniline cyclization to 7-methoxycoumarin occurs: Heterocycles, 39, 613 (1994).

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC name

2-hydroxy-4-methoxybenzaldehyde

Synonyms

IUPAC Traditional name

2-hydroxy-4-methoxybenzaldehyde

Registration numbers

MDL Number

MFCD00003327

Beilstein Number

1072443

CAS Number

673-22-3

PubChem SID

2484988716203323324879459

EC Number

211-604-0

PubChem CID

69600

Molecule Details

Sigma Aldrich

160695

Packaging
5, 25 g in glass bottle

References

PubChem Literature

From Data Sources

• Condensation with t-butyl acrylate results in cyclization to t-butyl 7-methoxychromene-3-carboxylate: J. Med. Chem., 36, 3580 (1993):

• With (Ethoxycarbonylmethylene)triphenylphosphorane, A12896, in N,N-diethylaniline cyclization to 7-methoxycoumarin occurs: Heterocycles, 39, 613 (1994).

Bioactivity

PubChem BioAssay

Properties

Molecule

ID:67498