1-(2-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

C16H16FNO2 — CID 106780917

IUPAC1-(2-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESCOc1cccc(C2NCCc3ccc(O)cc32)c1F
InChIInChI=1S/C16H16FNO2/c1-20-14-4-2-3-12(15(14)17)16-13-9-11(19)6-5-10(13)7-8-18-16/h2-6,9,16,18-19H,7-8H2,1H3
InChIKeyIHEQKBVTUAQBPH-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.78
Rot. Bonds2

About 1-(2-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

1-(2-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol (PubChem CID 106780917) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
PubChem CID106780917
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESCOc1cccc(C2NCCc3ccc(O)cc32)c1F
InChIInChI=1S/C16H16FNO2/c1-20-14-4-2-3-12(15(14)17)16-13-9-11(19)6-5-10(13)7-8-18-16/h2-6,9,16,18-19H,7-8H2,1H3
InChIKeyIHEQKBVTUAQBPH-UHFFFAOYSA-N
XLogP2.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543736
1-(2-methoxy-5-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 5108927
1-(2-ethoxy-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 4668451
1-(3-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543809
1-(4-tert-butylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543718
7-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 106543720
1-(4-methoxy-2,3-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 3953203
1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543727
1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 22018521
2-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-4-fluorophenoxy]acetic acid
CID 141396383
6-methoxy-7-phenylmethoxy-1-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 4026358
5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole
CID 84737138

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol (CID 106780917) is 1-(2-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol is COc1cccc(C2NCCc3ccc(O)cc32)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
The InChIKey is IHEQKBVTUAQBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-20-14-4-2-3-12(15(14)17)16-13-9-11(19)6-5-10(13)7-8-18-16/h2-6,9,16,18-19H,7-8H2,1H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
1-(2-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol has a molecular weight of 273.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol is sourced from PubChem (CID 106780917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).