8-bromo-5-phenylmethoxyisoquinoline

C16H12BrNO — CID 69449029

IUPAC8-bromo-5-phenylmethoxyisoquinoline
SMILESBrc1ccc(OCc2ccccc2)c2ccncc12
InChIInChI=1S/C16H12BrNO/c17-15-6-7-16(13-8-9-18-10-14(13)15)19-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyFTUGLRZTWANTCQ-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.58
Rot. Bonds3

About 8-bromo-5-phenylmethoxyisoquinoline

8-bromo-5-phenylmethoxyisoquinoline (PubChem CID 69449029) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is 8-bromo-5-phenylmethoxyisoquinoline.

Molecular Properties

Compound Name8-bromo-5-phenylmethoxyisoquinoline
PubChem CID69449029
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name8-bromo-5-phenylmethoxyisoquinoline
SMILESBrc1ccc(OCc2ccccc2)c2ccncc12
InChIInChI=1S/C16H12BrNO/c17-15-6-7-16(13-8-9-18-10-14(13)15)19-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyFTUGLRZTWANTCQ-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

8-bromo-6-phenylmethoxyisoquinoline
CID 67402699
6,7-bis(phenylmethoxy)isoquinoline
CID 14151864
5-[(4-methoxyphenyl)methoxy]isoquinolin-8-amine
CID 43448916
4,7-bis(phenylmethoxy)-1,10-phenanthroline
CID 23134911
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 66535478
3-phenylmethoxy-4-propylpyridine
CID 154694939
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
1-bromo-6-methyl-7-(4-methylphenyl)-4-phenylmethoxynaphthalene
CID 121324732
4-phenylmethoxyquinoline
CID 11299312
5,8-bis(phenylmethoxy)naphthalen-2-ol
CID 139679004
2-bromo-5-methoxy-1-phenylmethoxynaphthalene
CID 10904008
1-bromo-3-chloro-2-iodo-4-phenylmethoxybenzene
CID 146035383

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-phenylmethoxyisoquinoline?
The IUPAC name of 8-bromo-5-phenylmethoxyisoquinoline (CID 69449029) is 8-bromo-5-phenylmethoxyisoquinoline.
What is the SMILES notation for 8-bromo-5-phenylmethoxyisoquinoline?
The canonical SMILES for 8-bromo-5-phenylmethoxyisoquinoline is Brc1ccc(OCc2ccccc2)c2ccncc12.
What is the InChIKey of 8-bromo-5-phenylmethoxyisoquinoline?
The InChIKey is FTUGLRZTWANTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c17-15-6-7-16(13-8-9-18-10-14(13)15)19-11-12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 8-bromo-5-phenylmethoxyisoquinoline?
8-bromo-5-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-5-phenylmethoxyisoquinoline is sourced from PubChem (CID 69449029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).