4-hydroxy-6-phenyl-2-benzothiophene-5-carbonitrile

C15H9NOS — CID 138969683

IUPAC4-hydroxy-6-phenyl-2-benzothiophene-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc2cscc2c1O
InChIInChI=1S/C15H9NOS/c16-7-13-12(10-4-2-1-3-5-10)6-11-8-18-9-14(11)15(13)17/h1-6,8-9,17H
InChIKeySBTMDHSIRYNDMP-UHFFFAOYSA-N
MW251.31 g/mol
LogP4.15
Rot. Bonds1

About 4-hydroxy-6-phenyl-2-benzothiophene-5-carbonitrile

4-hydroxy-6-phenyl-2-benzothiophene-5-carbonitrile (PubChem CID 138969683) has the molecular formula C15H9NOS and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-hydroxy-6-phenyl-2-benzothiophene-5-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-6-phenyl-2-benzothiophene-5-carbonitrile
PubChem CID138969683
Molecular FormulaC15H9NOS
Molecular Weight251.31 g/mol
Exact Mass251.04
IUPAC Name4-hydroxy-6-phenyl-2-benzothiophene-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc2cscc2c1O
InChIInChI=1S/C15H9NOS/c16-7-13-12(10-4-2-1-3-5-10)6-11-8-18-9-14(11)15(13)17/h1-6,8-9,17H
InChIKeySBTMDHSIRYNDMP-UHFFFAOYSA-N
XLogP4.15
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-phenyl-2-benzothiophene-5-carbonitrile?
The IUPAC name of 4-hydroxy-6-phenyl-2-benzothiophene-5-carbonitrile (CID 138969683) is 4-hydroxy-6-phenyl-2-benzothiophene-5-carbonitrile.
What is the SMILES notation for 4-hydroxy-6-phenyl-2-benzothiophene-5-carbonitrile?
The canonical SMILES for 4-hydroxy-6-phenyl-2-benzothiophene-5-carbonitrile is N#Cc1c(-c2ccccc2)cc2cscc2c1O.
What is the InChIKey of 4-hydroxy-6-phenyl-2-benzothiophene-5-carbonitrile?
The InChIKey is SBTMDHSIRYNDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NOS/c16-7-13-12(10-4-2-1-3-5-10)6-11-8-18-9-14(11)15(13)17/h1-6,8-9,17H.
What are the key properties of 4-hydroxy-6-phenyl-2-benzothiophene-5-carbonitrile?
4-hydroxy-6-phenyl-2-benzothiophene-5-carbonitrile has a molecular weight of 251.31 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-phenyl-2-benzothiophene-5-carbonitrile is sourced from PubChem (CID 138969683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).