2-(4-methylphenyl)-1-benzothiophen-6-ol

C15H12OS — CID 10933614

IUPAC2-(4-methylphenyl)-1-benzothiophen-6-ol
SMILESCc1ccc(-c2cc3ccc(O)cc3s2)cc1
InChIInChI=1S/C15H12OS/c1-10-2-4-11(5-3-10)14-8-12-6-7-13(16)9-15(12)17-14/h2-9,16H,1H3
InChIKeyGLGSXNORTCZYDV-UHFFFAOYSA-N
MW240.33 g/mol
LogP4.58
Rot. Bonds1

About 2-(4-methylphenyl)-1-benzothiophen-6-ol

2-(4-methylphenyl)-1-benzothiophen-6-ol (PubChem CID 10933614) has the molecular formula C15H12OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-benzothiophen-6-ol.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-benzothiophen-6-ol
PubChem CID10933614
Molecular FormulaC15H12OS
Molecular Weight240.33 g/mol
Exact Mass240.06
IUPAC Name2-(4-methylphenyl)-1-benzothiophen-6-ol
SMILESCc1ccc(-c2cc3ccc(O)cc3s2)cc1
InChIInChI=1S/C15H12OS/c1-10-2-4-11(5-3-10)14-8-12-6-7-13(16)9-15(12)17-14/h2-9,16H,1H3
InChIKeyGLGSXNORTCZYDV-UHFFFAOYSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-benzothiophen-6-ol?
The IUPAC name of 2-(4-methylphenyl)-1-benzothiophen-6-ol (CID 10933614) is 2-(4-methylphenyl)-1-benzothiophen-6-ol.
What is the SMILES notation for 2-(4-methylphenyl)-1-benzothiophen-6-ol?
The canonical SMILES for 2-(4-methylphenyl)-1-benzothiophen-6-ol is Cc1ccc(-c2cc3ccc(O)cc3s2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-benzothiophen-6-ol?
The InChIKey is GLGSXNORTCZYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12OS/c1-10-2-4-11(5-3-10)14-8-12-6-7-13(16)9-15(12)17-14/h2-9,16H,1H3.
What are the key properties of 2-(4-methylphenyl)-1-benzothiophen-6-ol?
2-(4-methylphenyl)-1-benzothiophen-6-ol has a molecular weight of 240.33 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-benzothiophen-6-ol is sourced from PubChem (CID 10933614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).