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

C16H13BrO2S — CID 81153527

IUPAC(7-bromo-1-benzothiophen-3-yl)-(2-methoxyphenyl)methanol
SMILESCOc1ccccc1C(O)c1csc2c(Br)cccc12
InChIInChI=1S/C16H13BrO2S/c1-19-14-8-3-2-5-11(14)15(18)12-9-20-16-10(12)6-4-7-13(16)17/h2-9,15,18H,1H3
InChIKeyGBKHSDHTEMPCOL-UHFFFAOYSA-N
MW349.25 g/mol
LogP4.75
Rot. Bonds3

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

(7-bromo-1-benzothiophen-3-yl)-(2-methoxyphenyl)methanol (PubChem CID 81153527) has the molecular formula C16H13BrO2S and a molecular weight of 349.25 g/mol. Its IUPAC name is (7-bromo-1-benzothiophen-3-yl)-(2-methoxyphenyl)methanol.

Molecular Properties

Compound Name(7-bromo-1-benzothiophen-3-yl)-(2-methoxyphenyl)methanol
PubChem CID81153527
Molecular FormulaC16H13BrO2S
Molecular Weight349.25 g/mol
Exact Mass347.98
IUPAC Name(7-bromo-1-benzothiophen-3-yl)-(2-methoxyphenyl)methanol
SMILESCOc1ccccc1C(O)c1csc2c(Br)cccc12
InChIInChI=1S/C16H13BrO2S/c1-19-14-8-3-2-5-11(14)15(18)12-9-20-16-10(12)6-4-7-13(16)17/h2-9,15,18H,1H3
InChIKeyGBKHSDHTEMPCOL-UHFFFAOYSA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7-bromo-1-benzothiophen-3-yl)-(2-methoxyphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-6-methoxyphenyl)methanol
CID 81128494
(7-bromo-1-benzothiophen-3-yl)-(2-iodophenyl)methanol
CID 81153133
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098916
(7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol
CID 81153735
(7-bromo-1-benzothiophen-3-yl)-(3-methylphenyl)methanol
CID 81153234
(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol
CID 81153432
7-bromo-3-[chloro-(3-methoxythiophen-2-yl)methyl]-1-benzothiophene
CID 81152927
(7-bromo-1-benzothiophen-3-yl)-(4-bromo-2-chlorophenyl)methanol
CID 81153521
(7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol
CID 81154055
(7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol
CID 81128771
7-bromo-3-(1-chloroethyl)-1-benzothiophene
CID 81146817
(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-methoxyphenyl)methanol?
The IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(2-methoxyphenyl)methanol (CID 81153527) is (7-bromo-1-benzothiophen-3-yl)-(2-methoxyphenyl)methanol.
What is the SMILES notation for (7-bromo-1-benzothiophen-3-yl)-(2-methoxyphenyl)methanol?
The canonical SMILES for (7-bromo-1-benzothiophen-3-yl)-(2-methoxyphenyl)methanol is COc1ccccc1C(O)c1csc2c(Br)cccc12.
What is the InChIKey of (7-bromo-1-benzothiophen-3-yl)-(2-methoxyphenyl)methanol?
The InChIKey is GBKHSDHTEMPCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO2S/c1-19-14-8-3-2-5-11(14)15(18)12-9-20-16-10(12)6-4-7-13(16)17/h2-9,15,18H,1H3.
What are the key properties of (7-bromo-1-benzothiophen-3-yl)-(2-methoxyphenyl)methanol?
(7-bromo-1-benzothiophen-3-yl)-(2-methoxyphenyl)methanol has a molecular weight of 349.25 g/mol, XLogP of 4.75, 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-methoxyphenyl)methanol is sourced from PubChem (CID 81153527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).