CAS 149-29-1|CAS 3236-71-3|4-[9-(4-hydroxyphenyl)-9H-fluoren-9-yl]phenol|4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol|9,9-Bis(4-hydroxyphenyl)fluorene|U - Patulin solution|双酚芴|4,4′-(9-Fluorenyliden...

基本信息

化学结构

分子式

C₂₅H₁₈O₂

分子量

350.40922

精确质量

350.13067982

电荷

InChI

InChI=1S/C25H18O2/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-16,26-27H

InChIKey

YWFPGFJLYRKYJZ-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc(cc1)C1(c2ccc(cc2)O)c2ccccc2-c2c1cccc2

Isomeric Smiles

c12c3c(C(c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O)cccc3

计算属性

JChem

LogD (pH = 7.4)

5.98

LogD (pH = 5.5)

5.99

Log P

5.99

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

false

Acid pKa

9.19

极化表面积

40.46

极化性

38.73

摩尔折射率

108.05

LOG S

-5.71

数据来源

名称和标识

IUPAC标准名

4-[9-(4-hydroxyphenyl)-9H-fluoren-9-yl]phenol

IUPAC传统名

4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol

别名

9,9-Bis(4-hydroxyphenyl)fluoreneU - Patulin solution双酚芴4,4′-(9-Fluorenylidene)diphenol棒曲霉素溶液9,9-二(4-羟苯基)芴4-羟基-4H-呋[3,2-c]吡喃-2(6H)-酮9,9-Bis(4-hydroxyphenyl)fluorenePAT4,4'-(9H-Fluorene-9,9-diyl)diphenolbisphenol fluorenone4,4'-(9H-fluoren-9-ylidene)bisphenolBHPF9,9-bis(p-hydroxyphenyl)fluorenefluorene-9-bisphenol9,9-bis(4-hydroxyphenyl)fluorene

名称和标识

数据登录号

CAS号

149-29-13236-71-3

PubChem SID

248705622486485716205001685336584

MDL号

MFCD00191392

Beilstein号

2060986

EC号

406-950-6