4-(4-fluorophenyl)-1-methoxyisoquinolin-5-ol

C16H12FNO2 — CID 71375626

IUPAC4-(4-fluorophenyl)-1-methoxyisoquinolin-5-ol
SMILESCOc1ncc(-c2ccc(F)cc2)c2c(O)cccc12
InChIInChI=1S/C16H12FNO2/c1-20-16-12-3-2-4-14(19)15(12)13(9-18-16)10-5-7-11(17)8-6-10/h2-9,19H,1H3
InChIKeyHECDAANTYIADAL-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.76
Rot. Bonds2

About 4-(4-fluorophenyl)-1-methoxyisoquinolin-5-ol

4-(4-fluorophenyl)-1-methoxyisoquinolin-5-ol (PubChem CID 71375626) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-methoxyisoquinolin-5-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-methoxyisoquinolin-5-ol
PubChem CID71375626
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name4-(4-fluorophenyl)-1-methoxyisoquinolin-5-ol
SMILESCOc1ncc(-c2ccc(F)cc2)c2c(O)cccc12
InChIInChI=1S/C16H12FNO2/c1-20-16-12-3-2-4-14(19)15(12)13(9-18-16)10-5-7-11(17)8-6-10/h2-9,19H,1H3
InChIKeyHECDAANTYIADAL-UHFFFAOYSA-N
XLogP3.76
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluorophenyl)-1-methoxyisoquinolin-5-ol 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 4-(4-fluorophenyl)-1-methoxyisoquinolin-5-ol?
The IUPAC name of 4-(4-fluorophenyl)-1-methoxyisoquinolin-5-ol (CID 71375626) is 4-(4-fluorophenyl)-1-methoxyisoquinolin-5-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-1-methoxyisoquinolin-5-ol?
The canonical SMILES for 4-(4-fluorophenyl)-1-methoxyisoquinolin-5-ol is COc1ncc(-c2ccc(F)cc2)c2c(O)cccc12.
What is the InChIKey of 4-(4-fluorophenyl)-1-methoxyisoquinolin-5-ol?
The InChIKey is HECDAANTYIADAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c1-20-16-12-3-2-4-14(19)15(12)13(9-18-16)10-5-7-11(17)8-6-10/h2-9,19H,1H3.
What are the key properties of 4-(4-fluorophenyl)-1-methoxyisoquinolin-5-ol?
4-(4-fluorophenyl)-1-methoxyisoquinolin-5-ol has a molecular weight of 269.28 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-methoxyisoquinolin-5-ol is sourced from PubChem (CID 71375626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).