2-[4-(methylamino)phenyl]-1-benzothiophen-6-ol

C15H13NOS — CID 58160298

IUPAC2-[4-(methylamino)phenyl]-1-benzothiophen-6-ol
SMILESCNc1ccc(-c2cc3ccc(O)cc3s2)cc1
InChIInChI=1S/C15H13NOS/c1-16-12-5-2-10(3-6-12)14-8-11-4-7-13(17)9-15(11)18-14/h2-9,16-17H,1H3
InChIKeyHINKGUIPFOLHHL-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.32
Rot. Bonds2

About 2-[4-(methylamino)phenyl]-1-benzothiophen-6-ol

2-[4-(methylamino)phenyl]-1-benzothiophen-6-ol (PubChem CID 58160298) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[4-(methylamino)phenyl]-1-benzothiophen-6-ol.

Molecular Properties

Compound Name2-[4-(methylamino)phenyl]-1-benzothiophen-6-ol
PubChem CID58160298
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name2-[4-(methylamino)phenyl]-1-benzothiophen-6-ol
SMILESCNc1ccc(-c2cc3ccc(O)cc3s2)cc1
InChIInChI=1S/C15H13NOS/c1-16-12-5-2-10(3-6-12)14-8-11-4-7-13(17)9-15(11)18-14/h2-9,16-17H,1H3
InChIKeyHINKGUIPFOLHHL-UHFFFAOYSA-N
XLogP4.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)phenyl]-1-benzothiophen-6-ol?
The IUPAC name of 2-[4-(methylamino)phenyl]-1-benzothiophen-6-ol (CID 58160298) is 2-[4-(methylamino)phenyl]-1-benzothiophen-6-ol.
What is the SMILES notation for 2-[4-(methylamino)phenyl]-1-benzothiophen-6-ol?
The canonical SMILES for 2-[4-(methylamino)phenyl]-1-benzothiophen-6-ol is CNc1ccc(-c2cc3ccc(O)cc3s2)cc1.
What is the InChIKey of 2-[4-(methylamino)phenyl]-1-benzothiophen-6-ol?
The InChIKey is HINKGUIPFOLHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-16-12-5-2-10(3-6-12)14-8-11-4-7-13(17)9-15(11)18-14/h2-9,16-17H,1H3.
What are the key properties of 2-[4-(methylamino)phenyl]-1-benzothiophen-6-ol?
2-[4-(methylamino)phenyl]-1-benzothiophen-6-ol has a molecular weight of 255.34 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)phenyl]-1-benzothiophen-6-ol is sourced from PubChem (CID 58160298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).