3-[5-(3-hydroxyphenyl)-4-phenylthiophen-2-yl]phenol

C22H16O2S — CID 44542047

IUPAC3-[5-(3-hydroxyphenyl)-4-phenylthiophen-2-yl]phenol
SMILESOc1cccc(-c2cc(-c3ccccc3)c(-c3cccc(O)c3)s2)c1
InChIInChI=1S/C22H16O2S/c23-18-10-4-8-16(12-18)21-14-20(15-6-2-1-3-7-15)22(25-21)17-9-5-11-19(24)13-17/h1-14,23-24H
InChIKeyZQUCGOXYEIRCOX-UHFFFAOYSA-N
MW344.44 g/mol
LogP6.16
Rot. Bonds3

About 3-[5-(3-hydroxyphenyl)-4-phenylthiophen-2-yl]phenol

3-[5-(3-hydroxyphenyl)-4-phenylthiophen-2-yl]phenol (PubChem CID 44542047) has the molecular formula C22H16O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-[5-(3-hydroxyphenyl)-4-phenylthiophen-2-yl]phenol.

Molecular Properties

Compound Name3-[5-(3-hydroxyphenyl)-4-phenylthiophen-2-yl]phenol
PubChem CID44542047
Molecular FormulaC22H16O2S
Molecular Weight344.44 g/mol
Exact Mass344.09
IUPAC Name3-[5-(3-hydroxyphenyl)-4-phenylthiophen-2-yl]phenol
SMILESOc1cccc(-c2cc(-c3ccccc3)c(-c3cccc(O)c3)s2)c1
InChIInChI=1S/C22H16O2S/c23-18-10-4-8-16(12-18)21-14-20(15-6-2-1-3-7-15)22(25-21)17-9-5-11-19(24)13-17/h1-14,23-24H
InChIKeyZQUCGOXYEIRCOX-UHFFFAOYSA-N
XLogP6.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[5-(3-hydroxyphenyl)-4-phenylthiophen-2-yl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-hydroxyphenyl)-4-phenylthiophen-2-yl]phenol?
The IUPAC name of 3-[5-(3-hydroxyphenyl)-4-phenylthiophen-2-yl]phenol (CID 44542047) is 3-[5-(3-hydroxyphenyl)-4-phenylthiophen-2-yl]phenol.
What is the SMILES notation for 3-[5-(3-hydroxyphenyl)-4-phenylthiophen-2-yl]phenol?
The canonical SMILES for 3-[5-(3-hydroxyphenyl)-4-phenylthiophen-2-yl]phenol is Oc1cccc(-c2cc(-c3ccccc3)c(-c3cccc(O)c3)s2)c1.
What is the InChIKey of 3-[5-(3-hydroxyphenyl)-4-phenylthiophen-2-yl]phenol?
The InChIKey is ZQUCGOXYEIRCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O2S/c23-18-10-4-8-16(12-18)21-14-20(15-6-2-1-3-7-15)22(25-21)17-9-5-11-19(24)13-17/h1-14,23-24H.
What are the key properties of 3-[5-(3-hydroxyphenyl)-4-phenylthiophen-2-yl]phenol?
3-[5-(3-hydroxyphenyl)-4-phenylthiophen-2-yl]phenol has a molecular weight of 344.44 g/mol, XLogP of 6.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-hydroxyphenyl)-4-phenylthiophen-2-yl]phenol is sourced from PubChem (CID 44542047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).