[1-(4-bromophenyl)isoquinolin-5-yl]methanol

C16H12BrNO — CID 12851832

IUPAC[1-(4-bromophenyl)isoquinolin-5-yl]methanol
SMILESOCc1cccc2c(-c3ccc(Br)cc3)nccc12
InChIInChI=1S/C16H12BrNO/c17-13-6-4-11(5-7-13)16-15-3-1-2-12(10-19)14(15)8-9-18-16/h1-9,19H,10H2
InChIKeyZWDGRZGLJILBFH-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.16
Rot. Bonds2

About [1-(4-bromophenyl)isoquinolin-5-yl]methanol

[1-(4-bromophenyl)isoquinolin-5-yl]methanol (PubChem CID 12851832) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is [1-(4-bromophenyl)isoquinolin-5-yl]methanol.

Molecular Properties

Compound Name[1-(4-bromophenyl)isoquinolin-5-yl]methanol
PubChem CID12851832
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name[1-(4-bromophenyl)isoquinolin-5-yl]methanol
SMILESOCc1cccc2c(-c3ccc(Br)cc3)nccc12
InChIInChI=1S/C16H12BrNO/c17-13-6-4-11(5-7-13)16-15-3-1-2-12(10-19)14(15)8-9-18-16/h1-9,19H,10H2
InChIKeyZWDGRZGLJILBFH-UHFFFAOYSA-N
XLogP4.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(4-bromophenyl)isoquinolin-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)isoquinolin-5-yl]methanol?
The IUPAC name of [1-(4-bromophenyl)isoquinolin-5-yl]methanol (CID 12851832) is [1-(4-bromophenyl)isoquinolin-5-yl]methanol.
What is the SMILES notation for [1-(4-bromophenyl)isoquinolin-5-yl]methanol?
The canonical SMILES for [1-(4-bromophenyl)isoquinolin-5-yl]methanol is OCc1cccc2c(-c3ccc(Br)cc3)nccc12.
What is the InChIKey of [1-(4-bromophenyl)isoquinolin-5-yl]methanol?
The InChIKey is ZWDGRZGLJILBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c17-13-6-4-11(5-7-13)16-15-3-1-2-12(10-19)14(15)8-9-18-16/h1-9,19H,10H2.
What are the key properties of [1-(4-bromophenyl)isoquinolin-5-yl]methanol?
[1-(4-bromophenyl)isoquinolin-5-yl]methanol has a molecular weight of 314.18 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)isoquinolin-5-yl]methanol is sourced from PubChem (CID 12851832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).