CAS 131-54-4|bis(2-hydroxy-4-methoxyphenyl)methanone|2-(2-hydroxy-4-methoxybenzoyl)-5-methoxyphenol|2-(2-hydroxy-4-methoxybenzoyl)-5-methoxyphenol|2,2'-Dihydroxy-4,4'-dimethoxybenzophenone|UVINUL-D-...

General Information

Structure

Molecular Formula

C₁₅H₁₄O₅

Molecular Mass

274.26866

Exact Mass

274.08412355

Charge

InChI

InChI=1S/C15H14O5/c1-19-9-3-5-11(13(16)7-9)15(18)12-6-4-10(20-2)8-14(12)17/h3-8,16-17H,1-2H3

InChIKey

SODJJEXAWOSSON-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(c(c1)O)C(=O)c1ccc(cc1O)OC

Isomeric Smiles

O=C(c1c(cc(cc1)OC)O)c1ccc(cc1O)OC

Calculated Properties

JChem

Acid pKa

6.73985

H Acceptors

H Donor

LogD (pH = 5.5)

3.7857049

LogD (pH = 7.4)

2.8129392

Log P

3.8101256

Molar Refractivity

73.5217

Polarizability

28.239426

Polar Surface Area

75.99

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

bis(2-hydroxy-4-methoxyphenyl)methanone2,2'-Dihydroxy-4,4'-dimethoxybenzophenoneUVINUL-D-492,2'-二羟基-4,4'-二甲氧基二苯甲酮2,2′-Dihydroxy-4,4′-dimethoxybenzophenone2,2'-二羟基-4,4'-二甲氧基苯并苯酮2,2'-Dihydroxy-4,4'-dimethoxybenzophenone

IUPAC name

2-(2-hydroxy-4-methoxybenzoyl)-5-methoxyphenol

IUPAC Traditional name

2-(2-hydroxy-4-methoxybenzoyl)-5-methoxyphenol

Names and Identifiers

Registration numbers

PubChem SID

16204033524893355

PubChem CID

8570

CAS Number

131-54-4