8-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydroisoquinolin-4-ol

C16H16BrNO2 — CID 166625549

IUPAC8-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydroisoquinolin-4-ol
SMILESOC1CNCc2c(OCc3ccc(Br)cc3)cccc21
InChIInChI=1S/C16H16BrNO2/c17-12-6-4-11(5-7-12)10-20-16-3-1-2-13-14(16)8-18-9-15(13)19/h1-7,15,18-19H,8-10H2
InChIKeyFXEDZYUOSNXBJN-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.16
Rot. Bonds3

About 8-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydroisoquinolin-4-ol

8-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydroisoquinolin-4-ol (PubChem CID 166625549) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 8-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydroisoquinolin-4-ol.

Molecular Properties

Compound Name8-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydroisoquinolin-4-ol
PubChem CID166625549
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name8-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydroisoquinolin-4-ol
SMILESOC1CNCc2c(OCc3ccc(Br)cc3)cccc21
InChIInChI=1S/C16H16BrNO2/c17-12-6-4-11(5-7-12)10-20-16-3-1-2-13-14(16)8-18-9-15(13)19/h1-7,15,18-19H,8-10H2
InChIKeyFXEDZYUOSNXBJN-UHFFFAOYSA-N
XLogP3.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydroisoquinolin-4-ol?
The IUPAC name of 8-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydroisoquinolin-4-ol (CID 166625549) is 8-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydroisoquinolin-4-ol.
What is the SMILES notation for 8-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydroisoquinolin-4-ol?
The canonical SMILES for 8-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydroisoquinolin-4-ol is OC1CNCc2c(OCc3ccc(Br)cc3)cccc21.
What is the InChIKey of 8-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydroisoquinolin-4-ol?
The InChIKey is FXEDZYUOSNXBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c17-12-6-4-11(5-7-12)10-20-16-3-1-2-13-14(16)8-18-9-15(13)19/h1-7,15,18-19H,8-10H2.
What are the key properties of 8-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydroisoquinolin-4-ol?
8-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydroisoquinolin-4-ol has a molecular weight of 334.21 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydroisoquinolin-4-ol is sourced from PubChem (CID 166625549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).