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

C17H14FNO — CID 103139395

IUPAC(3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol
SMILESCc1cc(F)cc(C(O)c2cccc3ccncc23)c1
InChIInChI=1S/C17H14FNO/c1-11-7-13(9-14(18)8-11)17(20)15-4-2-3-12-5-6-19-10-16(12)15/h2-10,17,20H,1H3
InChIKeyDJYWTNYACPWCAI-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.76
Rot. Bonds2

About (3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol

(3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol (PubChem CID 103139395) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is (3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol.

Molecular Properties

Compound Name(3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol
PubChem CID103139395
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name(3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol
SMILESCc1cc(F)cc(C(O)c2cccc3ccncc23)c1
InChIInChI=1S/C17H14FNO/c1-11-7-13(9-14(18)8-11)17(20)15-4-2-3-12-5-6-19-10-16(12)15/h2-10,17,20H,1H3
InChIKeyDJYWTNYACPWCAI-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

1-(3-fluoro-5-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137533
isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol
CID 103139324
(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894563
(5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139004
(3,5-dichlorophenyl)-isoquinolin-8-ylmethanol
CID 103139219
1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136233
(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139380
(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139157
(3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol
CID 103138898
isoquinolin-5-yl-(3-methylphenyl)methanol
CID 62813349
(4-chlorophenyl)-isoquinolin-8-ylmethanol
CID 103139329
(2-fluoro-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823134

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol?
The IUPAC name of (3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol (CID 103139395) is (3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol.
What is the SMILES notation for (3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol?
The canonical SMILES for (3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol is Cc1cc(F)cc(C(O)c2cccc3ccncc23)c1.
What is the InChIKey of (3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol?
The InChIKey is DJYWTNYACPWCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c1-11-7-13(9-14(18)8-11)17(20)15-4-2-3-12-5-6-19-10-16(12)15/h2-10,17,20H,1H3.
What are the key properties of (3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol?
(3-fluoro-5-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 (3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol is sourced from PubChem (CID 103139395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).