4-(1-benzothiophen-2-yl)phenol

C14H10OS — CID 10220170

IUPAC4-(1-benzothiophen-2-yl)phenol
SMILESOc1ccc(-c2cc3ccccc3s2)cc1
InChIInChI=1S/C14H10OS/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9,15H
InChIKeyBTHAMNJTBJFIQX-UHFFFAOYSA-N
MW226.30 g/mol
LogP4.27
Rot. Bonds1

About 4-(1-benzothiophen-2-yl)phenol

4-(1-benzothiophen-2-yl)phenol (PubChem CID 10220170) has the molecular formula C14H10OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-(1-benzothiophen-2-yl)phenol.

Molecular Properties

Compound Name4-(1-benzothiophen-2-yl)phenol
PubChem CID10220170
Molecular FormulaC14H10OS
Molecular Weight226.30 g/mol
Exact Mass226.05
IUPAC Name4-(1-benzothiophen-2-yl)phenol
SMILESOc1ccc(-c2cc3ccccc3s2)cc1
InChIInChI=1S/C14H10OS/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9,15H
InChIKeyBTHAMNJTBJFIQX-UHFFFAOYSA-N
XLogP4.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(1-benzothiophen-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 4-(1-benzothiophen-2-yl)phenol?
The IUPAC name of 4-(1-benzothiophen-2-yl)phenol (CID 10220170) is 4-(1-benzothiophen-2-yl)phenol.
What is the SMILES notation for 4-(1-benzothiophen-2-yl)phenol?
The canonical SMILES for 4-(1-benzothiophen-2-yl)phenol is Oc1ccc(-c2cc3ccccc3s2)cc1.
What is the InChIKey of 4-(1-benzothiophen-2-yl)phenol?
The InChIKey is BTHAMNJTBJFIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10OS/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9,15H.
What are the key properties of 4-(1-benzothiophen-2-yl)phenol?
4-(1-benzothiophen-2-yl)phenol has a molecular weight of 226.30 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-2-yl)phenol is sourced from PubChem (CID 10220170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).