(4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol

C15H10BrFOS — CID 81104251

IUPAC(4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
SMILESOC(c1ccc(Br)cc1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H10BrFOS/c16-11-4-1-9(2-5-11)15(18)14-7-10-3-6-12(17)8-13(10)19-14/h1-8,15,18H
InChIKeyKHROREOIJIWWIJ-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.88
Rot. Bonds2

About (4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol

(4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol (PubChem CID 81104251) has the molecular formula C15H10BrFOS and a molecular weight of 337.21 g/mol. Its IUPAC name is (4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
PubChem CID81104251
Molecular FormulaC15H10BrFOS
Molecular Weight337.21 g/mol
Exact Mass335.96
IUPAC Name(4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
SMILESOC(c1ccc(Br)cc1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H10BrFOS/c16-11-4-1-9(2-5-11)15(18)14-7-10-3-6-12(17)8-13(10)19-14/h1-8,15,18H
InChIKeyKHROREOIJIWWIJ-UHFFFAOYSA-N
XLogP4.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol (CID 81104251) is (4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol is OC(c1ccc(Br)cc1)c1cc2ccc(F)cc2s1.
What is the InChIKey of (4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The InChIKey is KHROREOIJIWWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFOS/c16-11-4-1-9(2-5-11)15(18)14-7-10-3-6-12(17)8-13(10)19-14/h1-8,15,18H.
What are the key properties of (4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
(4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol has a molecular weight of 337.21 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 81104251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).