(2,4-dimethylphenyl)-isoquinolin-5-ylmethanol

C18H17NO — CID 63894893

IUPAC(2,4-dimethylphenyl)-isoquinolin-5-ylmethanol
SMILESCc1ccc(C(O)c2cccc3cnccc23)c(C)c1
InChIInChI=1S/C18H17NO/c1-12-6-7-15(13(2)10-12)18(20)17-5-3-4-14-11-19-9-8-16(14)17/h3-11,18,20H,1-2H3
InChIKeyLRNGMELNIZAYBK-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.93
Rot. Bonds2

About (2,4-dimethylphenyl)-isoquinolin-5-ylmethanol

(2,4-dimethylphenyl)-isoquinolin-5-ylmethanol (PubChem CID 63894893) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-isoquinolin-5-ylmethanol.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-isoquinolin-5-ylmethanol
PubChem CID63894893
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name(2,4-dimethylphenyl)-isoquinolin-5-ylmethanol
SMILESCc1ccc(C(O)c2cccc3cnccc23)c(C)c1
InChIInChI=1S/C18H17NO/c1-12-6-7-15(13(2)10-12)18(20)17-5-3-4-14-11-19-9-8-16(14)17/h3-11,18,20H,1-2H3
InChIKeyLRNGMELNIZAYBK-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

Analyze (2,4-dimethylphenyl)-isoquinolin-5-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol
CID 106859204
(2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol
CID 115795023
isoquinolin-5-yl-(3-methylphenyl)methanol
CID 62813349
(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894530
(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894563
(5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol
CID 62813674
(1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol
CID 79584102
(2,4-dichlorophenyl)-isoquinolin-5-ylmethanol
CID 63893316
(2,4-dimethylphenyl)-quinolin-8-ylmethanol
CID 62875063
(4-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanol
CID 63082098
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
(2-aminophenyl)-isoquinolin-5-ylmethanol
CID 64832372

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-isoquinolin-5-ylmethanol?
The IUPAC name of (2,4-dimethylphenyl)-isoquinolin-5-ylmethanol (CID 63894893) is (2,4-dimethylphenyl)-isoquinolin-5-ylmethanol.
What is the SMILES notation for (2,4-dimethylphenyl)-isoquinolin-5-ylmethanol?
The canonical SMILES for (2,4-dimethylphenyl)-isoquinolin-5-ylmethanol is Cc1ccc(C(O)c2cccc3cnccc23)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-isoquinolin-5-ylmethanol?
The InChIKey is LRNGMELNIZAYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-12-6-7-15(13(2)10-12)18(20)17-5-3-4-14-11-19-9-8-16(14)17/h3-11,18,20H,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-isoquinolin-5-ylmethanol?
(2,4-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 (2,4-dimethylphenyl)-isoquinolin-5-ylmethanol is sourced from PubChem (CID 63894893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).