2-(1H-pyrrol-2-yl)phenol;2-thiophen-2-ylphenol

C20H17NO2S — CID 157345789

IUPAC2-(1H-pyrrol-2-yl)phenol;2-thiophen-2-ylphenol
SMILESOc1ccccc1-c1ccc[nH]1.Oc1ccccc1-c1cccs1
InChIInChI=1S/C10H9NO.C10H8OS/c12-10-6-2-1-4-8(10)9-5-3-7-11-9;11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-7,11-12H;1-7,11H
InChIKeyBGYIVDRMMGLOAG-UHFFFAOYSA-N
MW335.43 g/mol
LogP5.51
Rot. Bonds2

About 2-(1H-pyrrol-2-yl)phenol;2-thiophen-2-ylphenol

2-(1H-pyrrol-2-yl)phenol;2-thiophen-2-ylphenol (PubChem CID 157345789) has the molecular formula C20H17NO2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-yl)phenol;2-thiophen-2-ylphenol.

Molecular Properties

Compound Name2-(1H-pyrrol-2-yl)phenol;2-thiophen-2-ylphenol
PubChem CID157345789
Molecular FormulaC20H17NO2S
Molecular Weight335.43 g/mol
Exact Mass335.10
IUPAC Name2-(1H-pyrrol-2-yl)phenol;2-thiophen-2-ylphenol
SMILESOc1ccccc1-c1ccc[nH]1.Oc1ccccc1-c1cccs1
InChIInChI=1S/C10H9NO.C10H8OS/c12-10-6-2-1-4-8(10)9-5-3-7-11-9;11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-7,11-12H;1-7,11H
InChIKeyBGYIVDRMMGLOAG-UHFFFAOYSA-N
XLogP5.51
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.43
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(1H-pyrrol-2-yl)phenol;2-thiophen-2-ylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1H-pyrrol-2-yl)naphthalen-1-ol
CID 57034694
3,6-dithiophen-2-ylbenzene-1,2-diol
CID 122606222
2-[3-(1H-pyrrol-2-yl)azulen-1-yl]-1H-pyrrole
CID 11265392
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
2,3-dithiophen-2-yl-1H-pyrrole;9H-fluorene
CID 175152597
3-(2-hydroxyphenyl)-4-thiophen-2-ylnaphthalen-1-ol
CID 102482810
2-(2-bromophenyl)-1H-pyrrole
CID 57266902
4-(hydroxymethyl)-2-(1H-pyrrol-2-yl)phenol
CID 174468832
2-thiophen-2-ylcyclohepta-2,4,6-trien-1-one
CID 142643105
(2S)-2-amino-2-(2-thiophen-2-ylphenyl)ethanol
CID 66514296
2-(2-hydroxyphenyl)thiophen-3-ol
CID 132511067
2-amino-6-(2-hydroxyphenyl)-4-thiophen-2-ylpyridine-3-carbonitrile
CID 136909232

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-yl)phenol;2-thiophen-2-ylphenol?
The IUPAC name of 2-(1H-pyrrol-2-yl)phenol;2-thiophen-2-ylphenol (CID 157345789) is 2-(1H-pyrrol-2-yl)phenol;2-thiophen-2-ylphenol.
What is the SMILES notation for 2-(1H-pyrrol-2-yl)phenol;2-thiophen-2-ylphenol?
The canonical SMILES for 2-(1H-pyrrol-2-yl)phenol;2-thiophen-2-ylphenol is Oc1ccccc1-c1ccc[nH]1.Oc1ccccc1-c1cccs1.
What is the InChIKey of 2-(1H-pyrrol-2-yl)phenol;2-thiophen-2-ylphenol?
The InChIKey is BGYIVDRMMGLOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.C10H8OS/c12-10-6-2-1-4-8(10)9-5-3-7-11-9;11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-7,11-12H;1-7,11H.
What are the key properties of 2-(1H-pyrrol-2-yl)phenol;2-thiophen-2-ylphenol?
2-(1H-pyrrol-2-yl)phenol;2-thiophen-2-ylphenol has a molecular weight of 335.43 g/mol, XLogP of 5.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-yl)phenol;2-thiophen-2-ylphenol is sourced from PubChem (CID 157345789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).