Responsive image

Common name


2-phenylphenol

Formula


C12H10O

CAS


90-43-7

IUPAC name


[1,1'-biphenyl]-2-ol

SMILES


c1ccc(cc1)c1ccccc1O

INCHI


InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H

Physicochemical Properties

Molecular weight:

170.073

Molar refractivity:

61.077

Num. bonds:

14

Num. double bonds:

6

Num. triple bonds:

0

Num. heavy atoms:

13

Num. nitrogen atom:

0

Num. oxygen atoms:

1

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

0

Num. H-bond donors:

1

Complexity of system:

40.01

Lipophilicity

ALogP:

1.853

MLogP:

2.67

XLogP:

2.571

Water Solubility

CLogS:

-2.971

Geometric

PPSA-1:

293.503

PNSA-1:

249.213

RPCS:

3.304

RNCS:

12.135

THSA:

500.068

TPSA:

37.997

RHSA:

0.921

RPSA:

0.079

Electrostatic

RPCG:

0.25

RNCG:

0.412

Flexibility

Num. Rot. bonds: 1

1

Frac. of Rot. bonds:

0.071

AgroPAD

Photostability

Num. arom. bonds:

13

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

4

topoDiameter:

7

TopoPSA:

20.23
Responsive image

Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

2.524

QEF:

0.413

Gau:

5.30828