1-bromo-7-phenoxyisoquinolin-4-ol

C15H10BrNO2 — CID 86613478

IUPAC1-bromo-7-phenoxyisoquinolin-4-ol
SMILESOc1cnc(Br)c2cc(Oc3ccccc3)ccc12
InChIInChI=1S/C15H10BrNO2/c16-15-13-8-11(19-10-4-2-1-3-5-10)6-7-12(13)14(18)9-17-15/h1-9,18H
InChIKeyRHNAOMBIUCKLCD-UHFFFAOYSA-N
MW316.15 g/mol
LogP4.50
Rot. Bonds2

About 1-bromo-7-phenoxyisoquinolin-4-ol

1-bromo-7-phenoxyisoquinolin-4-ol (PubChem CID 86613478) has the molecular formula C15H10BrNO2 and a molecular weight of 316.15 g/mol. Its IUPAC name is 1-bromo-7-phenoxyisoquinolin-4-ol.

Molecular Properties

Compound Name1-bromo-7-phenoxyisoquinolin-4-ol
PubChem CID86613478
Molecular FormulaC15H10BrNO2
Molecular Weight316.15 g/mol
Exact Mass314.99
IUPAC Name1-bromo-7-phenoxyisoquinolin-4-ol
SMILESOc1cnc(Br)c2cc(Oc3ccccc3)ccc12
InChIInChI=1S/C15H10BrNO2/c16-15-13-8-11(19-10-4-2-1-3-5-10)6-7-12(13)14(18)9-17-15/h1-9,18H
InChIKeyRHNAOMBIUCKLCD-UHFFFAOYSA-N
XLogP4.50
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(morpholin-4-ylmethyl)-7-phenoxyisoquinolin-4-ol
CID 175797878
formic acid;7-phenoxyisoquinolin-4-ol
CID 175369132
bromo 4-hydroxy-7-phenoxyisoquinoline-3-carboxylate
CID 155163629
2-iodo-4-phenoxyphenol
CID 10710201
2-methyl-4-phenoxyphenol
CID 23089676
2-triphenylen-2-yloxytriphenylene
CID 142787718
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
5-phenoxybenzene-1,2,3-triol
CID 14020516
4-amino-6-phenoxyquinoline-3-carboxylic acid
CID 54588448
benzyl 1-methyl-6-phenoxy-4-phenylmethoxyisoquinoline-3-carboxylate;1-bromo-4-hydroxy-6-phenoxyisoquinoline-3-carboxylic acid
CID 161270780
4-chloro-6-phenoxyquinoline
CID 43531961
2-bromo-1-fluoro-4-phenoxybenzene
CID 71774083

Frequently Asked Questions

What is the IUPAC name of 1-bromo-7-phenoxyisoquinolin-4-ol?
The IUPAC name of 1-bromo-7-phenoxyisoquinolin-4-ol (CID 86613478) is 1-bromo-7-phenoxyisoquinolin-4-ol.
What is the SMILES notation for 1-bromo-7-phenoxyisoquinolin-4-ol?
The canonical SMILES for 1-bromo-7-phenoxyisoquinolin-4-ol is Oc1cnc(Br)c2cc(Oc3ccccc3)ccc12.
What is the InChIKey of 1-bromo-7-phenoxyisoquinolin-4-ol?
The InChIKey is RHNAOMBIUCKLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO2/c16-15-13-8-11(19-10-4-2-1-3-5-10)6-7-12(13)14(18)9-17-15/h1-9,18H.
What are the key properties of 1-bromo-7-phenoxyisoquinolin-4-ol?
1-bromo-7-phenoxyisoquinolin-4-ol has a molecular weight of 316.15 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7-phenoxyisoquinolin-4-ol is sourced from PubChem (CID 86613478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).