1-benzothiophen-3-yl-(2,3-dichlorophenyl)methanol

C15H10Cl2OS — CID 61088560

IUPAC1-benzothiophen-3-yl-(2,3-dichlorophenyl)methanol
SMILESOC(c1cccc(Cl)c1Cl)c1csc2ccccc12
InChIInChI=1S/C15H10Cl2OS/c16-12-6-3-5-10(14(12)17)15(18)11-8-19-13-7-2-1-4-9(11)13/h1-8,15,18H
InChIKeyNMBAOQSJTKCSAA-UHFFFAOYSA-N
MW309.22 g/mol
LogP5.29
Rot. Bonds2

About 1-benzothiophen-3-yl-(2,3-dichlorophenyl)methanol

1-benzothiophen-3-yl-(2,3-dichlorophenyl)methanol (PubChem CID 61088560) has the molecular formula C15H10Cl2OS and a molecular weight of 309.22 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(2,3-dichlorophenyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(2,3-dichlorophenyl)methanol
PubChem CID61088560
Molecular FormulaC15H10Cl2OS
Molecular Weight309.22 g/mol
Exact Mass307.98
IUPAC Name1-benzothiophen-3-yl-(2,3-dichlorophenyl)methanol
SMILESOC(c1cccc(Cl)c1Cl)c1csc2ccccc12
InChIInChI=1S/C15H10Cl2OS/c16-12-6-3-5-10(14(12)17)15(18)11-8-19-13-7-2-1-4-9(11)13/h1-8,15,18H
InChIKeyNMBAOQSJTKCSAA-UHFFFAOYSA-N
XLogP5.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.22
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(2,3-dichlorophenyl)methanol?
The IUPAC name of 1-benzothiophen-3-yl-(2,3-dichlorophenyl)methanol (CID 61088560) is 1-benzothiophen-3-yl-(2,3-dichlorophenyl)methanol.
What is the SMILES notation for 1-benzothiophen-3-yl-(2,3-dichlorophenyl)methanol?
The canonical SMILES for 1-benzothiophen-3-yl-(2,3-dichlorophenyl)methanol is OC(c1cccc(Cl)c1Cl)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(2,3-dichlorophenyl)methanol?
The InChIKey is NMBAOQSJTKCSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2OS/c16-12-6-3-5-10(14(12)17)15(18)11-8-19-13-7-2-1-4-9(11)13/h1-8,15,18H.
What are the key properties of 1-benzothiophen-3-yl-(2,3-dichlorophenyl)methanol?
1-benzothiophen-3-yl-(2,3-dichlorophenyl)methanol has a molecular weight of 309.22 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(2,3-dichlorophenyl)methanol is sourced from PubChem (CID 61088560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).