[3-(2-chlorophenyl)-1-benzothiophen-5-yl]methanol

C15H11ClOS — CID 131986199

IUPAC[3-(2-chlorophenyl)-1-benzothiophen-5-yl]methanol
SMILESOCc1ccc2scc(-c3ccccc3Cl)c2c1
InChIInChI=1S/C15H11ClOS/c16-14-4-2-1-3-11(14)13-9-18-15-6-5-10(8-17)7-12(13)15/h1-7,9,17H,8H2
InChIKeyVYUVVNKZTWCROG-UHFFFAOYSA-N
MW274.77 g/mol
LogP4.71
Rot. Bonds2

About [3-(2-chlorophenyl)-1-benzothiophen-5-yl]methanol

[3-(2-chlorophenyl)-1-benzothiophen-5-yl]methanol (PubChem CID 131986199) has the molecular formula C15H11ClOS and a molecular weight of 274.77 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-1-benzothiophen-5-yl]methanol.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-1-benzothiophen-5-yl]methanol
PubChem CID131986199
Molecular FormulaC15H11ClOS
Molecular Weight274.77 g/mol
Exact Mass274.02
IUPAC Name[3-(2-chlorophenyl)-1-benzothiophen-5-yl]methanol
SMILESOCc1ccc2scc(-c3ccccc3Cl)c2c1
InChIInChI=1S/C15H11ClOS/c16-14-4-2-1-3-11(14)13-9-18-15-6-5-10(8-17)7-12(13)15/h1-7,9,17H,8H2
InChIKeyVYUVVNKZTWCROG-UHFFFAOYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-1-benzothiophen-5-yl]methanol?
The IUPAC name of [3-(2-chlorophenyl)-1-benzothiophen-5-yl]methanol (CID 131986199) is [3-(2-chlorophenyl)-1-benzothiophen-5-yl]methanol.
What is the SMILES notation for [3-(2-chlorophenyl)-1-benzothiophen-5-yl]methanol?
The canonical SMILES for [3-(2-chlorophenyl)-1-benzothiophen-5-yl]methanol is OCc1ccc2scc(-c3ccccc3Cl)c2c1.
What is the InChIKey of [3-(2-chlorophenyl)-1-benzothiophen-5-yl]methanol?
The InChIKey is VYUVVNKZTWCROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClOS/c16-14-4-2-1-3-11(14)13-9-18-15-6-5-10(8-17)7-12(13)15/h1-7,9,17H,8H2.
What are the key properties of [3-(2-chlorophenyl)-1-benzothiophen-5-yl]methanol?
[3-(2-chlorophenyl)-1-benzothiophen-5-yl]methanol has a molecular weight of 274.77 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-1-benzothiophen-5-yl]methanol is sourced from PubChem (CID 131986199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).