CAS 611-99-4|bis(4-hydroxyphenyl)methanone|4-(4-hydroxybenzoyl)phenol|4-(4-hydroxybenzoyl)phenol|4,4'-Dihydroxybenzophenone|4,4'-dihydroxybenzophenone|4,4′-Dihydroxybenzophenone|4,4′-二羟二苯甲酮|...

General Information

Structure

Molecular Formula

C₁₃H₁₀O₃

Molecular Mass

214.2167

Exact Mass

214.06299418

Charge

InChI

InChI=1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H

InChIKey

RXNYJUSEXLAVNQ-UHFFFAOYSA-N

Canonic Smiles

O=C(c1ccc(cc1)O)c1ccc(cc1)O

Isomeric Smiles

c1cc(ccc1O)C(=O)c1ccc(cc1)O

Calculated Properties

JChem

Acid pKa

7.550018

H Acceptors

H Donor

LogD (pH = 5.5)

2.8216317

LogD (pH = 7.4)

2.5647168

Log P

2.8254683

Molar Refractivity

60.5953

Polarizability

23.180384

Polar Surface Area

57.53

Rotatable Bonds

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

2.77

LOG S

-3.05

Solubility (Water)

1.90e-01 g/l

Data Source

Names and Identifiers

Synonyms

bis(4-hydroxyphenyl)methanone4,4′-Dihydroxybenzophenone4,4′-二羟二苯甲酮4,4'-DihydroxybenzophenoneBenzophenone, 4,4’dihydroxy-(7Cl,8Cl)4,4’-dihydroxydiphenyl ketoneBis(4-hydroxyphenyl) ketoneHBP (ketone)HBPNSCBis(4-hydroxyphenyl)methanoneNSC 28314,4'-Dihydroxy-benzophenone4,4'-Dihydroxydiphenyl KetoneBis(4-hydroxy)benzophenone4,4'-二羟基苯甲酮4,4'-Dihydroxybenzophenone

IUPAC name

4-(4-hydroxybenzoyl)phenol

IUPAC Traditional name

4-(4-hydroxybenzoyl)phenol 4,4'-dihydroxybenzophenone

Names and Identifiers

Registration numbers

CAS Number

611-99-4

PubChem CID

69150

MDL Number

MFCD00002358