3-bromo-6-phenylmethoxy-1-benzothiophen-2-ol

C15H11BrO2S — CID 21186569

IUPAC3-bromo-6-phenylmethoxy-1-benzothiophen-2-ol
SMILESOc1sc2cc(OCc3ccccc3)ccc2c1Br
InChIInChI=1S/C15H11BrO2S/c16-14-12-7-6-11(8-13(12)19-15(14)17)18-9-10-4-2-1-3-5-10/h1-8,17H,9H2
InChIKeyASTJBUUUFJTZIQ-UHFFFAOYSA-N
MW335.22 g/mol
LogP4.95
Rot. Bonds3

About 3-bromo-6-phenylmethoxy-1-benzothiophen-2-ol

3-bromo-6-phenylmethoxy-1-benzothiophen-2-ol (PubChem CID 21186569) has the molecular formula C15H11BrO2S and a molecular weight of 335.22 g/mol. Its IUPAC name is 3-bromo-6-phenylmethoxy-1-benzothiophen-2-ol.

Molecular Properties

Compound Name3-bromo-6-phenylmethoxy-1-benzothiophen-2-ol
PubChem CID21186569
Molecular FormulaC15H11BrO2S
Molecular Weight335.22 g/mol
Exact Mass333.97
IUPAC Name3-bromo-6-phenylmethoxy-1-benzothiophen-2-ol
SMILESOc1sc2cc(OCc3ccccc3)ccc2c1Br
InChIInChI=1S/C15H11BrO2S/c16-14-12-7-6-11(8-13(12)19-15(14)17)18-9-10-4-2-1-3-5-10/h1-8,17H,9H2
InChIKeyASTJBUUUFJTZIQ-UHFFFAOYSA-N
XLogP4.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenylmethoxyphenyl) hypobromite
CID 151898979
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
3-pentan-3-yl-8-phenylmethoxy-1,2,4,5-tetrahydro-[1]benzothiolo[2,3-d]azepine
CID 168943623
9-oxo-6-phenylmethoxythioxanthene-4-carboxylate
CID 163617571
2-phenyl-5-phenylmethoxyphenol
CID 123808909
2-bromo-6-phenylmethoxynaphthalene
CID 640595
2-methoxy-6-phenylmethoxy-1-benzothiophene
CID 174512240
2-bromo-1-iodo-4-phenylmethoxybenzene
CID 134128585
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one
CID 139717983
N'-hydroxy-6-phenylmethoxy-1-benzothiophene-2-carboximidamide
CID 24859715
2-(6-phenylmethoxy-1-benzothiophen-2-yl)acetaldehyde
CID 118578588

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-phenylmethoxy-1-benzothiophen-2-ol?
The IUPAC name of 3-bromo-6-phenylmethoxy-1-benzothiophen-2-ol (CID 21186569) is 3-bromo-6-phenylmethoxy-1-benzothiophen-2-ol.
What is the SMILES notation for 3-bromo-6-phenylmethoxy-1-benzothiophen-2-ol?
The canonical SMILES for 3-bromo-6-phenylmethoxy-1-benzothiophen-2-ol is Oc1sc2cc(OCc3ccccc3)ccc2c1Br.
What is the InChIKey of 3-bromo-6-phenylmethoxy-1-benzothiophen-2-ol?
The InChIKey is ASTJBUUUFJTZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO2S/c16-14-12-7-6-11(8-13(12)19-15(14)17)18-9-10-4-2-1-3-5-10/h1-8,17H,9H2.
What are the key properties of 3-bromo-6-phenylmethoxy-1-benzothiophen-2-ol?
3-bromo-6-phenylmethoxy-1-benzothiophen-2-ol has a molecular weight of 335.22 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-phenylmethoxy-1-benzothiophen-2-ol is sourced from PubChem (CID 21186569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).