4-(1-benzothiophen-7-yl)-3-methylphenol

C15H12OS — CID 83131287

IUPAC4-(1-benzothiophen-7-yl)-3-methylphenol
SMILESCc1cc(O)ccc1-c1cccc2ccsc12
InChIInChI=1S/C15H12OS/c1-10-9-12(16)5-6-13(10)14-4-2-3-11-7-8-17-15(11)14/h2-9,16H,1H3
InChIKeyNDAJGJVESSRYMC-UHFFFAOYSA-N
MW240.33 g/mol
LogP4.58
Rot. Bonds1

About 4-(1-benzothiophen-7-yl)-3-methylphenol

4-(1-benzothiophen-7-yl)-3-methylphenol (PubChem CID 83131287) has the molecular formula C15H12OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-(1-benzothiophen-7-yl)-3-methylphenol.

Molecular Properties

Compound Name4-(1-benzothiophen-7-yl)-3-methylphenol
PubChem CID83131287
Molecular FormulaC15H12OS
Molecular Weight240.33 g/mol
Exact Mass240.06
IUPAC Name4-(1-benzothiophen-7-yl)-3-methylphenol
SMILESCc1cc(O)ccc1-c1cccc2ccsc12
InChIInChI=1S/C15H12OS/c1-10-9-12(16)5-6-13(10)14-4-2-3-11-7-8-17-15(11)14/h2-9,16H,1H3
InChIKeyNDAJGJVESSRYMC-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 4-(1-benzothiophen-7-yl)-3-methylphenol?
The IUPAC name of 4-(1-benzothiophen-7-yl)-3-methylphenol (CID 83131287) is 4-(1-benzothiophen-7-yl)-3-methylphenol.
What is the SMILES notation for 4-(1-benzothiophen-7-yl)-3-methylphenol?
The canonical SMILES for 4-(1-benzothiophen-7-yl)-3-methylphenol is Cc1cc(O)ccc1-c1cccc2ccsc12.
What is the InChIKey of 4-(1-benzothiophen-7-yl)-3-methylphenol?
The InChIKey is NDAJGJVESSRYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12OS/c1-10-9-12(16)5-6-13(10)14-4-2-3-11-7-8-17-15(11)14/h2-9,16H,1H3.
What are the key properties of 4-(1-benzothiophen-7-yl)-3-methylphenol?
4-(1-benzothiophen-7-yl)-3-methylphenol 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 4-(1-benzothiophen-7-yl)-3-methylphenol is sourced from PubChem (CID 83131287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).