2-(3,5-difluorophenyl)-1-isoquinolin-5-ylethanol

C17H13F2NO — CID 62813513

IUPAC2-(3,5-difluorophenyl)-1-isoquinolin-5-ylethanol
SMILESOC(Cc1cc(F)cc(F)c1)c1cccc2cnccc12
InChIInChI=1S/C17H13F2NO/c18-13-6-11(7-14(19)9-13)8-17(21)16-3-1-2-12-10-20-5-4-15(12)16/h1-7,9-10,17,21H,8H2
InChIKeyPPVGHLZGMMDFJI-UHFFFAOYSA-N
MW285.29 g/mol
LogP3.79
Rot. Bonds3

About 2-(3,5-difluorophenyl)-1-isoquinolin-5-ylethanol

2-(3,5-difluorophenyl)-1-isoquinolin-5-ylethanol (PubChem CID 62813513) has the molecular formula C17H13F2NO and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-isoquinolin-5-ylethanol.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-isoquinolin-5-ylethanol
PubChem CID62813513
Molecular FormulaC17H13F2NO
Molecular Weight285.29 g/mol
Exact Mass285.10
IUPAC Name2-(3,5-difluorophenyl)-1-isoquinolin-5-ylethanol
SMILESOC(Cc1cc(F)cc(F)c1)c1cccc2cnccc12
InChIInChI=1S/C17H13F2NO/c18-13-6-11(7-14(19)9-13)8-17(21)16-3-1-2-12-10-20-5-4-15(12)16/h1-7,9-10,17,21H,8H2
InChIKeyPPVGHLZGMMDFJI-UHFFFAOYSA-N
XLogP3.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-1-isoquinolin-5-ylpropan-1-ol
CID 62813667
1-isoquinolin-5-yl-2-methoxyethanol
CID 62813668
1-isoquinolin-5-yl-3-(3-methylphenyl)propan-1-ol
CID 105094616
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
(2-amino-5-fluorophenyl)-isoquinolin-5-ylmethanol
CID 82685229
(5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol
CID 62813674
(3,4-difluorophenyl)-isoquinolin-5-ylmethanol
CID 62813501
2-(2,4-difluorophenyl)-1-isoquinolin-5-ylethanamine
CID 64560423
(4-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanol
CID 63082098
1-isoquinolin-5-yl-3-sulfanylpropane-1,2-diol
CID 170820096
(2-aminophenyl)-isoquinolin-5-ylmethanol
CID 64832372
1-isoquinolin-5-yl-2-(3-methylphenyl)sulfanylethanol
CID 66087167

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-isoquinolin-5-ylethanol?
The IUPAC name of 2-(3,5-difluorophenyl)-1-isoquinolin-5-ylethanol (CID 62813513) is 2-(3,5-difluorophenyl)-1-isoquinolin-5-ylethanol.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-isoquinolin-5-ylethanol?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-isoquinolin-5-ylethanol is OC(Cc1cc(F)cc(F)c1)c1cccc2cnccc12.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-isoquinolin-5-ylethanol?
The InChIKey is PPVGHLZGMMDFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO/c18-13-6-11(7-14(19)9-13)8-17(21)16-3-1-2-12-10-20-5-4-15(12)16/h1-7,9-10,17,21H,8H2.
What are the key properties of 2-(3,5-difluorophenyl)-1-isoquinolin-5-ylethanol?
2-(3,5-difluorophenyl)-1-isoquinolin-5-ylethanol has a molecular weight of 285.29 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-isoquinolin-5-ylethanol is sourced from PubChem (CID 62813513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).