(5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol

C17H14FNO — CID 62813674

IUPAC(5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol
SMILESCc1ccc(F)cc1C(O)c1cccc2cnccc12
InChIInChI=1S/C17H14FNO/c1-11-5-6-13(18)9-16(11)17(20)15-4-2-3-12-10-19-8-7-14(12)15/h2-10,17,20H,1H3
InChIKeyZLPMYCOCWLLTEG-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.76
Rot. Bonds2

About (5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol

(5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol (PubChem CID 62813674) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol
PubChem CID62813674
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name(5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol
SMILESCc1ccc(F)cc1C(O)c1cccc2cnccc12
InChIInChI=1S/C17H14FNO/c1-11-5-6-13(18)9-16(11)17(20)15-4-2-3-12-10-19-8-7-14(12)15/h2-10,17,20H,1H3
InChIKeyZLPMYCOCWLLTEG-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139004
(2-amino-5-fluorophenyl)-isoquinolin-5-ylmethanol
CID 82685229
(5-fluoro-2-methylphenyl)-naphthalen-1-ylmethanol
CID 62791504
(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894530
(2,4-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894893
(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894563
(1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol
CID 79584102
(4-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanol
CID 63082098
(2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 62813520
isoquinolin-5-yl-(3-methylphenyl)methanol
CID 62813349
(2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol
CID 115795023
(2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol
CID 106859204

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol?
The IUPAC name of (5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol (CID 62813674) is (5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol?
The canonical SMILES for (5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol is Cc1ccc(F)cc1C(O)c1cccc2cnccc12.
What is the InChIKey of (5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol?
The InChIKey is ZLPMYCOCWLLTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c1-11-5-6-13(18)9-16(11)17(20)15-4-2-3-12-10-19-8-7-14(12)15/h2-10,17,20H,1H3.
What are the key properties of (5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol?
(5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol has a molecular weight of 267.30 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol is sourced from PubChem (CID 62813674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).