Benzo[b]thiophen-2-yl-(4-bromo-1-methoxynaphthalen-2-yl)methanol

HCID 67156311

Notes Reactions

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Basic information

Standard SMILES: COc1c(C(O)c2cc3ccccc3s2)cc(Br)c2ccccc12
InChIKey: RZBBUWBABAYJHY-UHFFFAOYSA-N
Molecular formula: C20H15BrO2S
Average molar mass: 399.3 g/mol

Names & identifiers

Preferred name: Benzo[b]thiophen-2-yl-(4-bromo-1-methoxynaphthalen-2-yl)methanol
IUPAC: 1-benzothiophen-2-yl-(4-bromo-1-methoxynaphthalen-2-yl)methanol

Names & synonyms

SCHEMBL1773750RZBBUWBABAYJHY-UHFFFAOYSA-NBenzo[b]thiophen-2-yl-(4-bromo-1-methoxy-naphthalen-2-yl)methanolbenzo[b]thiophen-2-yl-(4-bromo-1-methoxynaphthalen-2-yl)methanol

Database identifiers

PubChem CID: 67156311

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 57.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 434

Related reactions

4 records

New reaction record

HRID 105185As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 550240As productuspto-grants-2011_05

HRID 550241As reactantuspto-grants-2011_05

HRID 1212746As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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