(5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol

C17H14FNO — CID 103139004

IUPAC(5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol
SMILESCc1ccc(F)cc1C(O)c1cccc2ccncc12
InChIInChI=1S/C17H14FNO/c1-11-5-6-13(18)9-15(11)17(20)14-4-2-3-12-7-8-19-10-16(12)14/h2-10,17,20H,1H3
InChIKeyWKTRNGQDJBNGSG-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.76
Rot. Bonds2

About (5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol

(5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol (PubChem CID 103139004) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol
PubChem CID103139004
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name(5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol
SMILESCc1ccc(F)cc1C(O)c1cccc2ccncc12
InChIInChI=1S/C17H14FNO/c1-11-5-6-13(18)9-15(11)17(20)14-4-2-3-12-7-8-19-10-16(12)14/h2-10,17,20H,1H3
InChIKeyWKTRNGQDJBNGSG-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-5-ylmethanol
CID 62813674
(5-fluoro-2-methylphenyl)-naphthalen-1-ylmethanol
CID 62791504
(3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139395
(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139157
(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139380
isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol
CID 103139324
(2-amino-5-fluorophenyl)-isoquinolin-5-ylmethanol
CID 82685229
(5-fluoro-2-methylphenyl)-pyridin-3-ylmethanol
CID 62388574
(2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol
CID 107969985
isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol
CID 103139118
isoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol
CID 103143046
(3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol
CID 103138898

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol?
The IUPAC name of (5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol (CID 103139004) is (5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol?
The canonical SMILES for (5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol is Cc1ccc(F)cc1C(O)c1cccc2ccncc12.
What is the InChIKey of (5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol?
The InChIKey is WKTRNGQDJBNGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c1-11-5-6-13(18)9-15(11)17(20)14-4-2-3-12-7-8-19-10-16(12)14/h2-10,17,20H,1H3.
What are the key properties of (5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol?
(5-fluoro-2-methylphenyl)-isoquinolin-8-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-8-ylmethanol is sourced from PubChem (CID 103139004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).