(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol

C18H17NO — CID 63894530

IUPAC(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol
SMILESCc1cccc(C(O)c2cccc3cnccc23)c1C
InChIInChI=1S/C18H17NO/c1-12-5-3-7-15(13(12)2)18(20)17-8-4-6-14-11-19-10-9-16(14)17/h3-11,18,20H,1-2H3
InChIKeyLICPFSRRQAUDHJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.93
Rot. Bonds2

About (2,3-dimethylphenyl)-isoquinolin-5-ylmethanol

(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol (PubChem CID 63894530) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-isoquinolin-5-ylmethanol.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol
PubChem CID63894530
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol
SMILESCc1cccc(C(O)c2cccc3cnccc23)c1C
InChIInChI=1S/C18H17NO/c1-12-5-3-7-15(13(12)2)18(20)17-8-4-6-14-11-19-10-9-16(14)17/h3-11,18,20H,1-2H3
InChIKeyLICPFSRRQAUDHJ-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

(2,4-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894893
(1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol
CID 79584102
(2-aminophenyl)-isoquinolin-5-ylmethanol
CID 64832372
(5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol
CID 62813674
(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894563
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
(2-iodophenyl)-isoquinolin-5-ylmethanol
CID 115794969
(2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 62813520
isoquinolin-5-yl-(3-methylphenyl)methanol
CID 62813349
(1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol
CID 83092262
(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 (2,3-dimethylphenyl)-isoquinolin-5-ylmethanol?
The IUPAC name of (2,3-dimethylphenyl)-isoquinolin-5-ylmethanol (CID 63894530) is (2,3-dimethylphenyl)-isoquinolin-5-ylmethanol.
What is the SMILES notation for (2,3-dimethylphenyl)-isoquinolin-5-ylmethanol?
The canonical SMILES for (2,3-dimethylphenyl)-isoquinolin-5-ylmethanol is Cc1cccc(C(O)c2cccc3cnccc23)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-isoquinolin-5-ylmethanol?
The InChIKey is LICPFSRRQAUDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-12-5-3-7-15(13(12)2)18(20)17-8-4-6-14-11-19-10-9-16(14)17/h3-11,18,20H,1-2H3.
What are the key properties of (2,3-dimethylphenyl)-isoquinolin-5-ylmethanol?
(2,3-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 (2,3-dimethylphenyl)-isoquinolin-5-ylmethanol is sourced from PubChem (CID 63894530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).