(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol

C18H17NO — CID 63894563

IUPAC(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
SMILESCc1cc(C)cc(C(O)c2cccc3cnccc23)c1
InChIInChI=1S/C18H17NO/c1-12-8-13(2)10-15(9-12)18(20)17-5-3-4-14-11-19-7-6-16(14)17/h3-11,18,20H,1-2H3
InChIKeyXSFQBRHYGDDSIH-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.93
Rot. Bonds2

About (3,5-dimethylphenyl)-isoquinolin-5-ylmethanol

(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol (PubChem CID 63894563) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-isoquinolin-5-ylmethanol.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
PubChem CID63894563
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
SMILESCc1cc(C)cc(C(O)c2cccc3cnccc23)c1
InChIInChI=1S/C18H17NO/c1-12-8-13(2)10-15(9-12)18(20)17-5-3-4-14-11-19-7-6-16(14)17/h3-11,18,20H,1-2H3
InChIKeyXSFQBRHYGDDSIH-UHFFFAOYSA-N
XLogP3.93
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

isoquinolin-5-yl-(3-methylphenyl)methanol
CID 62813349
(3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139395
(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
(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894530
[4-(dimethylamino)phenyl]-isoquinolin-5-ylmethanol
CID 63895218
(3,4-difluorophenyl)-isoquinolin-5-ylmethanol
CID 62813501
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
(5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol
CID 62813674
isoquinolin-5-yl-(2-methylpyrimidin-4-yl)methanol
CID 115527932
isoquinolin-5-yl-(5-methylpyrazin-2-yl)methanol
CID 105094562

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-isoquinolin-5-ylmethanol?
The IUPAC name of (3,5-dimethylphenyl)-isoquinolin-5-ylmethanol (CID 63894563) is (3,5-dimethylphenyl)-isoquinolin-5-ylmethanol.
What is the SMILES notation for (3,5-dimethylphenyl)-isoquinolin-5-ylmethanol?
The canonical SMILES for (3,5-dimethylphenyl)-isoquinolin-5-ylmethanol is Cc1cc(C)cc(C(O)c2cccc3cnccc23)c1.
What is the InChIKey of (3,5-dimethylphenyl)-isoquinolin-5-ylmethanol?
The InChIKey is XSFQBRHYGDDSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-12-8-13(2)10-15(9-12)18(20)17-5-3-4-14-11-19-7-6-16(14)17/h3-11,18,20H,1-2H3.
What are the key properties of (3,5-dimethylphenyl)-isoquinolin-5-ylmethanol?
(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol has a molecular weight of 263.34 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-isoquinolin-5-ylmethanol is sourced from PubChem (CID 63894563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).