CAS 131-53-3|2-(2-hydroxybenzoyl)-5-methoxyphenol|2-(2-hydroxybenzoyl)-5-methoxyphenol|2,2'-Dihydroxy-4-methoxybenzophenone|Dioxybenzone|dioxybenzone|Dioxybenzone|benzophenone-8|二羟苯宗|2,2′-Dihyd...

General Information

Structure

Molecular Formula

C₁₄H₁₂O₄

Molecular Mass

244.24268

Exact Mass

244.07355886

Charge

InChI

InChI=1S/C14H12O4/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,15-16H,1H3

InChIKey

MEZZCSHVIGVWFI-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(c(c1)O)C(=O)c1ccccc1O

Isomeric Smiles

O=C(c1c(cccc1)O)c1ccc(cc1O)OC

Calculated Properties

JChem

Acid pKa

7.7806983

H Acceptors

H Donor

LogD (pH = 5.5)

3.9655418

LogD (pH = 7.4)

3.806313

Log P

3.967797

Molar Refractivity

67.0585

Polarizability

25.707424

Polar Surface Area

66.76

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2,2'-Dihydroxy-4-methoxybenzophenoneDioxybenzoneDioxybenzonebenzophenone-8二羟苯宗2,2′-Dihydroxy-4-methoxybenzophenone2,2'-二羟基-4-甲氧基二苯甲酮(2-Hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)methanone2,2'-二羟基-4-甲氧基二苯甲酮Dioxybenzone2,2′-Dihydroxy-4-methoxybenzophenone二羟苯宗

IUPAC Traditional name

2-(2-hydroxybenzoyl)-5-methoxyphenol dioxybenzone

IUPAC name

2-(2-hydroxybenzoyl)-5-methoxyphenol

Names and Identifiers

Registration numbers

CAS Number

131-53-3

EC Number

205-026-8

MDL Number

MFCD00002218