(5-bromo-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol

C15H14BrFOS — CID 105113661

IUPAC(5-bromo-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
SMILESOC(c1cc(Br)ccc1F)C1CCCc2sccc21
InChIInChI=1S/C15H14BrFOS/c16-9-4-5-13(17)12(8-9)15(18)11-2-1-3-14-10(11)6-7-19-14/h4-8,11,15,18H,1-3H2
InChIKeyNXDKZSCRMBBQRD-UHFFFAOYSA-N
MW341.25 g/mol
LogP4.80
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol

(5-bromo-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol (PubChem CID 105113661) has the molecular formula C15H14BrFOS and a molecular weight of 341.25 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
PubChem CID105113661
Molecular FormulaC15H14BrFOS
Molecular Weight341.25 g/mol
Exact Mass339.99
IUPAC Name(5-bromo-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
SMILESOC(c1cc(Br)ccc1F)C1CCCc2sccc21
InChIInChI=1S/C15H14BrFOS/c16-9-4-5-13(17)12(8-9)15(18)11-2-1-3-14-10(11)6-7-19-14/h4-8,11,15,18H,1-3H2
InChIKeyNXDKZSCRMBBQRD-UHFFFAOYSA-N
XLogP4.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105131837
(4-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105110803
4,5,6,7-tetrahydro-1-benzothiophen-4-yl-[4-(trifluoromethyl)phenyl]methanol
CID 105093679
4,5,6,7-tetrahydro-1-benzothiophen-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102710138
(5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105119690
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol
CID 105083105
(4-ethoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105092056
(5-bromo-2-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol
CID 105113662
3,4-dihydro-2H-chromen-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105130614
1-(3,4-difluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105145687
2-cyclopentyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol
CID 105090371
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hexan-1-ol
CID 105086077

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol (CID 105113661) is (5-bromo-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol is OC(c1cc(Br)ccc1F)C1CCCc2sccc21.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol?
The InChIKey is NXDKZSCRMBBQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFOS/c16-9-4-5-13(17)12(8-9)15(18)11-2-1-3-14-10(11)6-7-19-14/h4-8,11,15,18H,1-3H2.
What are the key properties of (5-bromo-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol?
(5-bromo-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol has a molecular weight of 341.25 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol is sourced from PubChem (CID 105113661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).