isoquinolin-5-yl-(3-methylphenyl)methanol

C17H15NO — CID 62813349

IUPACisoquinolin-5-yl-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2cccc3cnccc23)c1
InChIInChI=1S/C17H15NO/c1-12-4-2-5-13(10-12)17(19)16-7-3-6-14-11-18-9-8-15(14)16/h2-11,17,19H,1H3
InChIKeyVAJDIXUHZMRXJP-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.62
Rot. Bonds2

About isoquinolin-5-yl-(3-methylphenyl)methanol

isoquinolin-5-yl-(3-methylphenyl)methanol (PubChem CID 62813349) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is isoquinolin-5-yl-(3-methylphenyl)methanol.

Molecular Properties

Compound Nameisoquinolin-5-yl-(3-methylphenyl)methanol
PubChem CID62813349
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Nameisoquinolin-5-yl-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2cccc3cnccc23)c1
InChIInChI=1S/C17H15NO/c1-12-4-2-5-13(10-12)17(19)16-7-3-6-14-11-18-9-8-15(14)16/h2-11,17,19H,1H3
InChIKeyVAJDIXUHZMRXJP-UHFFFAOYSA-N
XLogP3.62
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894563
isoquinolin-4-yl-(3-methylphenyl)methanol
CID 63938792
(2,4-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894893
(2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol
CID 115795023
(2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol
CID 106859204
(3,4-difluorophenyl)-isoquinolin-5-ylmethanol
CID 62813501
(3-cyclopropylphenyl)-isoquinolin-5-ylmethanol
CID 79972222
(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894530
1-isoquinolin-5-yl-2-(3-methylphenyl)sulfanylethanol
CID 66087167
[4-(dimethylamino)phenyl]-isoquinolin-5-ylmethanol
CID 63895218
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
1-isoquinolin-5-yl-3-(3-methylphenyl)propan-1-ol
CID 105094616

Frequently Asked Questions

What is the IUPAC name of isoquinolin-5-yl-(3-methylphenyl)methanol?
The IUPAC name of isoquinolin-5-yl-(3-methylphenyl)methanol (CID 62813349) is isoquinolin-5-yl-(3-methylphenyl)methanol.
What is the SMILES notation for isoquinolin-5-yl-(3-methylphenyl)methanol?
The canonical SMILES for isoquinolin-5-yl-(3-methylphenyl)methanol is Cc1cccc(C(O)c2cccc3cnccc23)c1.
What is the InChIKey of isoquinolin-5-yl-(3-methylphenyl)methanol?
The InChIKey is VAJDIXUHZMRXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-12-4-2-5-13(10-12)17(19)16-7-3-6-14-11-18-9-8-15(14)16/h2-11,17,19H,1H3.
What are the key properties of isoquinolin-5-yl-(3-methylphenyl)methanol?
isoquinolin-5-yl-(3-methylphenyl)methanol has a molecular weight of 249.31 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-5-yl-(3-methylphenyl)methanol is sourced from PubChem (CID 62813349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).