(3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol

C17H18FNO2 — CID 65101161

IUPAC(3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol
SMILESCOc1ccc(C(O)C2CCc3ccccc3N2)cc1F
InChIInChI=1S/C17H18FNO2/c1-21-16-9-7-12(10-13(16)18)17(20)15-8-6-11-4-2-3-5-14(11)19-15/h2-5,7,9-10,15,17,19-20H,6,8H2,1H3
InChIKeySJIQWGXBHKTMCM-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.29
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol

(3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol (PubChem CID 65101161) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol
PubChem CID65101161
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name(3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol
SMILESCOc1ccc(C(O)C2CCc3ccccc3N2)cc1F
InChIInChI=1S/C17H18FNO2/c1-21-16-9-7-12(10-13(16)18)17(20)15-8-6-11-4-2-3-5-14(11)19-15/h2-5,7,9-10,15,17,19-20H,6,8H2,1H3
InChIKeySJIQWGXBHKTMCM-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-2-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

Related Compounds

2,3-dihydro-1H-indol-2-yl-(3-fluoro-4-methylphenyl)methanol
CID 65041648
(4-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol
CID 65041819
2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 65096294
2-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107127485
(3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79723755
(4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 105095417
(1R,2S)-2-amino-1-cyclopentyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 171161937
(1R,2S)-2-amino-1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 171161939
2-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-methoxybutan-1-ol
CID 116752804
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 105003671
1,4-dithian-2-yl-(3-fluoro-4-methoxyphenyl)methanol
CID 79973431
(1S)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 94248825

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol (CID 65101161) is (3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol is COc1ccc(C(O)C2CCc3ccccc3N2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol?
The InChIKey is SJIQWGXBHKTMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-21-16-9-7-12(10-13(16)18)17(20)15-8-6-11-4-2-3-5-14(11)19-15/h2-5,7,9-10,15,17,19-20H,6,8H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol?
(3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol has a molecular weight of 287.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol is sourced from PubChem (CID 65101161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).