4-fluoro-4-methyl-2,3-dihydro-1H-isoquinolin-8-ol

C10H12FNO — CID 84718477

IUPAC4-fluoro-4-methyl-2,3-dihydro-1H-isoquinolin-8-ol
SMILESCC1(F)CNCc2c(O)cccc21
InChIInChI=1S/C10H12FNO/c1-10(11)6-12-5-7-8(10)3-2-4-9(7)13/h2-4,12-13H,5-6H2,1H3
InChIKeyOYXBGXCWMHDJMK-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.68
Rot. Bonds

About 4-fluoro-4-methyl-2,3-dihydro-1H-isoquinolin-8-ol

4-fluoro-4-methyl-2,3-dihydro-1H-isoquinolin-8-ol (PubChem CID 84718477) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 4-fluoro-4-methyl-2,3-dihydro-1H-isoquinolin-8-ol.

Molecular Properties

Compound Name4-fluoro-4-methyl-2,3-dihydro-1H-isoquinolin-8-ol
PubChem CID84718477
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name4-fluoro-4-methyl-2,3-dihydro-1H-isoquinolin-8-ol
SMILESCC1(F)CNCc2c(O)cccc21
InChIInChI=1S/C10H12FNO/c1-10(11)6-12-5-7-8(10)3-2-4-9(7)13/h2-4,12-13H,5-6H2,1H3
InChIKeyOYXBGXCWMHDJMK-UHFFFAOYSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-fluoro-4-methyl-2,3-dihydro-1H-isoquinolin-8-ol with MolForge

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

Launch Full Analysis

Related Compounds

5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepin-9-ol
CID 84720485
4,4-difluoro-2,3-dihydro-1H-isoquinolin-8-ol
CID 84718894
1-fluoro-1-methyl-2,3-dihydroinden-4-ol
CID 84652361
4-fluoro-4-methyl-2,3-dihydrothiochromen-8-ol
CID 84721000
1-amino-1-methyl-2,3-dihydroinden-4-ol
CID 84716941
(9S)-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol
CID 67456029
(3aR,9aR)-3a,4,4-trimethyl-2,3,9,9a-tetrahydro-1H-benzo[f]indol-8-ol;hydrobromide
CID 69338364
5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-9-ol
CID 84718493
3,3-difluoro-1,2,4,5-tetrahydro-1-benzazepin-6-ol
CID 84721061
9-bromo-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine
CID 84729232
1-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-6-ol
CID 115015229
2-(3,3-difluoro-2-methyloxiran-2-yl)phenol
CID 130034849

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methyl-2,3-dihydro-1H-isoquinolin-8-ol?
The IUPAC name of 4-fluoro-4-methyl-2,3-dihydro-1H-isoquinolin-8-ol (CID 84718477) is 4-fluoro-4-methyl-2,3-dihydro-1H-isoquinolin-8-ol.
What is the SMILES notation for 4-fluoro-4-methyl-2,3-dihydro-1H-isoquinolin-8-ol?
The canonical SMILES for 4-fluoro-4-methyl-2,3-dihydro-1H-isoquinolin-8-ol is CC1(F)CNCc2c(O)cccc21.
What is the InChIKey of 4-fluoro-4-methyl-2,3-dihydro-1H-isoquinolin-8-ol?
The InChIKey is OYXBGXCWMHDJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-10(11)6-12-5-7-8(10)3-2-4-9(7)13/h2-4,12-13H,5-6H2,1H3.
What are the key properties of 4-fluoro-4-methyl-2,3-dihydro-1H-isoquinolin-8-ol?
4-fluoro-4-methyl-2,3-dihydro-1H-isoquinolin-8-ol has a molecular weight of 181.21 g/mol, XLogP of 1.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-2,3-dihydro-1H-isoquinolin-8-ol is sourced from PubChem (CID 84718477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).