1-Bromo-6-(4-hydroxy-phenyl)-naphthalen-2-ol

HCID 10149684

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Oc1ccc(-c2ccc3c(Br)c(O)ccc3c2)cc1
InChIKey: IPBYYNRPJBGKET-UHFFFAOYSA-N
Molecular formula: C16H11BrO2
Average molar mass: 315.16 g/mol

Names & identifiers

Preferred name: 1-Bromo-6-(4-hydroxy-phenyl)-naphthalen-2-ol
IUPAC: 1-bromo-6-(4-hydroxyphenyl)naphthalen-2-ol

Names & synonyms

CHEMBL1949361-Bromo-6-(4-hydroxy-phenyl)-naphthalen-2-olSCHEMBL3936480IPBYYNRPJBGKET-UHFFFAOYSA-NBDBM501683341-Bromo-6-(4-hydroxyphenyl)-2-naphtholPD179542

Database identifiers

PubChem CID: 10149684
ChEMBL: CHEMBL194936

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 301

Related reactions

6 records

New reaction record

HRID 160743As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 895179As productuspto-grants-2005_07

HRID 895181As reactantuspto-grants-2005_07

HRID 942053As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1830628As productuspto-grants-2006_06

HRID 1830630As reactantuspto-grants-2006_06

Compound notes

Loading…