8-bromo-6-phenylmethoxyisoquinoline

C16H12BrNO — CID 67402699

IUPAC8-bromo-6-phenylmethoxyisoquinoline
SMILESBrc1cc(OCc2ccccc2)cc2ccncc12
InChIInChI=1S/C16H12BrNO/c17-16-9-14(8-13-6-7-18-10-15(13)16)19-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeySBQVIYZXZXDDED-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.58
Rot. Bonds3

About 8-bromo-6-phenylmethoxyisoquinoline

8-bromo-6-phenylmethoxyisoquinoline (PubChem CID 67402699) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is 8-bromo-6-phenylmethoxyisoquinoline.

Molecular Properties

Compound Name8-bromo-6-phenylmethoxyisoquinoline
PubChem CID67402699
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name8-bromo-6-phenylmethoxyisoquinoline
SMILESBrc1cc(OCc2ccccc2)cc2ccncc12
InChIInChI=1S/C16H12BrNO/c17-16-9-14(8-13-6-7-18-10-15(13)16)19-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeySBQVIYZXZXDDED-UHFFFAOYSA-N
XLogP4.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-bis(phenylmethoxy)isoquinoline
CID 14151864
8-bromo-5-phenylmethoxyisoquinoline
CID 69449029
3-bromo-5-phenylmethoxypyridine
CID 15389198
[6-(hydroxymethyl)-4-phenylmethoxy-2-pyridinyl]methanol
CID 11436507
2-bromo-6-phenylmethoxynaphthalene
CID 640595
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene
CID 11186357
2-bromo-1-iodo-4-phenylmethoxybenzene
CID 134128585
5-bromo-6-phenylmethoxy-N-pyridin-4-ylpyridin-3-amine
CID 166033655
4-[2-[3-phenylmethoxy-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine
CID 102595555
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
3-bromo-4-chloro-6-phenylmethoxyquinoline
CID 114759884

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-phenylmethoxyisoquinoline?
The IUPAC name of 8-bromo-6-phenylmethoxyisoquinoline (CID 67402699) is 8-bromo-6-phenylmethoxyisoquinoline.
What is the SMILES notation for 8-bromo-6-phenylmethoxyisoquinoline?
The canonical SMILES for 8-bromo-6-phenylmethoxyisoquinoline is Brc1cc(OCc2ccccc2)cc2ccncc12.
What is the InChIKey of 8-bromo-6-phenylmethoxyisoquinoline?
The InChIKey is SBQVIYZXZXDDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c17-16-9-14(8-13-6-7-18-10-15(13)16)19-11-12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 8-bromo-6-phenylmethoxyisoquinoline?
8-bromo-6-phenylmethoxyisoquinoline has a molecular weight of 314.18 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-phenylmethoxyisoquinoline is sourced from PubChem (CID 67402699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).