2-phenyl-1-benzothiophen-6-ol

C14H10OS — CID 11117751

IUPAC2-phenyl-1-benzothiophen-6-ol
SMILESOc1ccc2cc(-c3ccccc3)sc2c1
InChIInChI=1S/C14H10OS/c15-12-7-6-11-8-13(16-14(11)9-12)10-4-2-1-3-5-10/h1-9,15H
InChIKeyBTCAHHDEULKYID-UHFFFAOYSA-N
MW226.30 g/mol
LogP4.27
Rot. Bonds1

About 2-phenyl-1-benzothiophen-6-ol

2-phenyl-1-benzothiophen-6-ol (PubChem CID 11117751) has the molecular formula C14H10OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-phenyl-1-benzothiophen-6-ol.

Molecular Properties

Compound Name2-phenyl-1-benzothiophen-6-ol
PubChem CID11117751
Molecular FormulaC14H10OS
Molecular Weight226.30 g/mol
Exact Mass226.05
IUPAC Name2-phenyl-1-benzothiophen-6-ol
SMILESOc1ccc2cc(-c3ccccc3)sc2c1
InChIInChI=1S/C14H10OS/c15-12-7-6-11-8-13(16-14(11)9-12)10-4-2-1-3-5-10/h1-9,15H
InChIKeyBTCAHHDEULKYID-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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-benzothiophen-6-ol?
The IUPAC name of 2-phenyl-1-benzothiophen-6-ol (CID 11117751) is 2-phenyl-1-benzothiophen-6-ol.
What is the SMILES notation for 2-phenyl-1-benzothiophen-6-ol?
The canonical SMILES for 2-phenyl-1-benzothiophen-6-ol is Oc1ccc2cc(-c3ccccc3)sc2c1.
What is the InChIKey of 2-phenyl-1-benzothiophen-6-ol?
The InChIKey is BTCAHHDEULKYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10OS/c15-12-7-6-11-8-13(16-14(11)9-12)10-4-2-1-3-5-10/h1-9,15H.
What are the key properties of 2-phenyl-1-benzothiophen-6-ol?
2-phenyl-1-benzothiophen-6-ol 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 2-phenyl-1-benzothiophen-6-ol is sourced from PubChem (CID 11117751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).