1-benzothiophen-7-yl-(2,4-difluorophenyl)methanol

C15H10F2OS — CID 81141862

IUPAC1-benzothiophen-7-yl-(2,4-difluorophenyl)methanol
SMILESOC(c1ccc(F)cc1F)c1cccc2ccsc12
InChIInChI=1S/C15H10F2OS/c16-10-4-5-11(13(17)8-10)14(18)12-3-1-2-9-6-7-19-15(9)12/h1-8,14,18H
InChIKeyDDMHIHOBZYFJGF-UHFFFAOYSA-N
MW276.31 g/mol
LogP4.26
Rot. Bonds2

About 1-benzothiophen-7-yl-(2,4-difluorophenyl)methanol

1-benzothiophen-7-yl-(2,4-difluorophenyl)methanol (PubChem CID 81141862) has the molecular formula C15H10F2OS and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(2,4-difluorophenyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(2,4-difluorophenyl)methanol
PubChem CID81141862
Molecular FormulaC15H10F2OS
Molecular Weight276.31 g/mol
Exact Mass276.04
IUPAC Name1-benzothiophen-7-yl-(2,4-difluorophenyl)methanol
SMILESOC(c1ccc(F)cc1F)c1cccc2ccsc12
InChIInChI=1S/C15H10F2OS/c16-10-4-5-11(13(17)8-10)14(18)12-3-1-2-9-6-7-19-15(9)12/h1-8,14,18H
InChIKeyDDMHIHOBZYFJGF-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-7-yl-(2,5-difluorophenyl)methanol
CID 81142378
1-benzothiophen-7-yl-(4-bromo-2-fluorophenyl)methanol
CID 81142904
(2,4-difluorophenyl)-naphthalen-1-ylmethanol
CID 61087726
1-benzothiophen-7-yl-(2,5-difluorophenyl)methanamine
CID 81154128
1-benzothiophen-7-yl-(3-bromo-5-fluorophenyl)methanol
CID 81154206
1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethanol
CID 81152861
1-benzothiophen-7-yl-(2,5-dibromophenyl)methanol
CID 115827334
1-benzothiophen-7-yl-(4-bromothiophen-2-yl)methanol
CID 81154092
1-benzothiophen-7-yl-(5-bromothiophen-3-yl)methanol
CID 105119099
(2-aminophenyl)-(2,4-difluorophenyl)methanol
CID 64833381
1-benzothiophen-7-yl-(2-bromofuran-3-yl)methanol
CID 106859446
1-(1-benzothiophen-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 81152982

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(2,4-difluorophenyl)methanol?
The IUPAC name of 1-benzothiophen-7-yl-(2,4-difluorophenyl)methanol (CID 81141862) is 1-benzothiophen-7-yl-(2,4-difluorophenyl)methanol.
What is the SMILES notation for 1-benzothiophen-7-yl-(2,4-difluorophenyl)methanol?
The canonical SMILES for 1-benzothiophen-7-yl-(2,4-difluorophenyl)methanol is OC(c1ccc(F)cc1F)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl-(2,4-difluorophenyl)methanol?
The InChIKey is DDMHIHOBZYFJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2OS/c16-10-4-5-11(13(17)8-10)14(18)12-3-1-2-9-6-7-19-15(9)12/h1-8,14,18H.
What are the key properties of 1-benzothiophen-7-yl-(2,4-difluorophenyl)methanol?
1-benzothiophen-7-yl-(2,4-difluorophenyl)methanol has a molecular weight of 276.31 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(2,4-difluorophenyl)methanol is sourced from PubChem (CID 81141862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).