1-(4-fluorophenyl)-1-isoquinolin-5-ylethanol

C17H14FNO — CID 62811615

IUPAC1-(4-fluorophenyl)-1-isoquinolin-5-ylethanol
SMILESCC(O)(c1ccc(F)cc1)c1cccc2cnccc12
InChIInChI=1S/C17H14FNO/c1-17(20,13-5-7-14(18)8-6-13)16-4-2-3-12-11-19-10-9-15(12)16/h2-11,20H,1H3
InChIKeyGOGDHUKIQWWUIV-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.63
Rot. Bonds2

About 1-(4-fluorophenyl)-1-isoquinolin-5-ylethanol

1-(4-fluorophenyl)-1-isoquinolin-5-ylethanol (PubChem CID 62811615) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-isoquinolin-5-ylethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-isoquinolin-5-ylethanol
PubChem CID62811615
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name1-(4-fluorophenyl)-1-isoquinolin-5-ylethanol
SMILESCC(O)(c1ccc(F)cc1)c1cccc2cnccc12
InChIInChI=1S/C17H14FNO/c1-17(20,13-5-7-14(18)8-6-13)16-4-2-3-12-11-19-10-9-15(12)16/h2-11,20H,1H3
InChIKeyGOGDHUKIQWWUIV-UHFFFAOYSA-N
XLogP3.63
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-1-isoquinolin-5-ylethanamine
CID 62813146
5-(2-methylpropan-2-yl)isoquinoline
CID 140752931
1-(2-fluorophenyl)-1-isoquinolin-8-ylethanol
CID 103142678
2-isoquinolin-5-yl-2-methylpropan-1-amine
CID 81020773
2-fluoro-2-isoquinolin-5-ylpropan-1-amine
CID 112565254
2-isoquinolin-5-yl-3-methylpentan-2-ol
CID 62813485
1-(tert-butylamino)-2-isoquinolin-5-ylpropan-2-ol
CID 66038703
1-(4-fluorophenyl)-1-isoquinolin-4-ylethanamine
CID 63940931
2-isoquinolin-5-yl-3-methylbutan-2-amine
CID 62811791
1-(3-fluorophenyl)-2-isoquinolin-5-ylpropan-2-amine
CID 114833996
1-(2,3-dichlorophenyl)-1-(4-fluorophenyl)ethanol
CID 55116262
1-(4-chlorophenyl)-1-naphthalen-1-ylethanol
CID 62787612

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-isoquinolin-5-ylethanol?
The IUPAC name of 1-(4-fluorophenyl)-1-isoquinolin-5-ylethanol (CID 62811615) is 1-(4-fluorophenyl)-1-isoquinolin-5-ylethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-1-isoquinolin-5-ylethanol?
The canonical SMILES for 1-(4-fluorophenyl)-1-isoquinolin-5-ylethanol is CC(O)(c1ccc(F)cc1)c1cccc2cnccc12.
What is the InChIKey of 1-(4-fluorophenyl)-1-isoquinolin-5-ylethanol?
The InChIKey is GOGDHUKIQWWUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c1-17(20,13-5-7-14(18)8-6-13)16-4-2-3-12-11-19-10-9-15(12)16/h2-11,20H,1H3.
What are the key properties of 1-(4-fluorophenyl)-1-isoquinolin-5-ylethanol?
1-(4-fluorophenyl)-1-isoquinolin-5-ylethanol has a molecular weight of 267.30 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-isoquinolin-5-ylethanol is sourced from PubChem (CID 62811615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).