(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-6-methoxyphenyl)methanol

C16H12BrFO2S — CID 81128494

IUPAC(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-6-methoxyphenyl)methanol
SMILESCOc1cccc(F)c1C(O)c1csc2c(Br)cccc12
InChIInChI=1S/C16H12BrFO2S/c1-20-13-7-3-6-12(18)14(13)15(19)10-8-21-16-9(10)4-2-5-11(16)17/h2-8,15,19H,1H3
InChIKeyJUWVSARJHBLGBU-UHFFFAOYSA-N
MW367.24 g/mol
LogP4.89
Rot. Bonds3

About (7-bromo-1-benzothiophen-3-yl)-(2-fluoro-6-methoxyphenyl)methanol

(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-6-methoxyphenyl)methanol (PubChem CID 81128494) has the molecular formula C16H12BrFO2S and a molecular weight of 367.24 g/mol. Its IUPAC name is (7-bromo-1-benzothiophen-3-yl)-(2-fluoro-6-methoxyphenyl)methanol.

Molecular Properties

Compound Name(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-6-methoxyphenyl)methanol
PubChem CID81128494
Molecular FormulaC16H12BrFO2S
Molecular Weight367.24 g/mol
Exact Mass365.97
IUPAC Name(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-6-methoxyphenyl)methanol
SMILESCOc1cccc(F)c1C(O)c1csc2c(Br)cccc12
InChIInChI=1S/C16H12BrFO2S/c1-20-13-7-3-6-12(18)14(13)15(19)10-8-21-16-9(10)4-2-5-11(16)17/h2-8,15,19H,1H3
InChIKeyJUWVSARJHBLGBU-UHFFFAOYSA-N
XLogP4.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-bromo-1-benzothiophen-3-yl)-(2-methoxyphenyl)methanol
CID 81153527
(7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol
CID 81153735
(7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol
CID 81128771
(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol
CID 81153432
(7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol
CID 81154055
(3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 79746374
7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene
CID 81147103
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 103396120
(7-bromo-1-benzothiophen-3-yl)-(3-methylphenyl)methanol
CID 81153234
7-bromo-3-[chloro-(3-methoxythiophen-2-yl)methyl]-1-benzothiophene
CID 81152927
(7-bromo-1-benzothiophen-3-yl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82797767
(7-bromo-1-benzothiophen-3-yl)-(4-chloro-2-methoxyphenyl)methanamine
CID 81133000

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(2-fluoro-6-methoxyphenyl)methanol?
The IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(2-fluoro-6-methoxyphenyl)methanol (CID 81128494) is (7-bromo-1-benzothiophen-3-yl)-(2-fluoro-6-methoxyphenyl)methanol.
What is the SMILES notation for (7-bromo-1-benzothiophen-3-yl)-(2-fluoro-6-methoxyphenyl)methanol?
The canonical SMILES for (7-bromo-1-benzothiophen-3-yl)-(2-fluoro-6-methoxyphenyl)methanol is COc1cccc(F)c1C(O)c1csc2c(Br)cccc12.
What is the InChIKey of (7-bromo-1-benzothiophen-3-yl)-(2-fluoro-6-methoxyphenyl)methanol?
The InChIKey is JUWVSARJHBLGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFO2S/c1-20-13-7-3-6-12(18)14(13)15(19)10-8-21-16-9(10)4-2-5-11(16)17/h2-8,15,19H,1H3.
What are the key properties of (7-bromo-1-benzothiophen-3-yl)-(2-fluoro-6-methoxyphenyl)methanol?
(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-6-methoxyphenyl)methanol has a molecular weight of 367.24 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzothiophen-3-yl)-(2-fluoro-6-methoxyphenyl)methanol is sourced from PubChem (CID 81128494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).