(3,5-dimethylphenyl)-isoquinolin-1-ylmethanol

C18H17NO — CID 63948839

IUPAC(3,5-dimethylphenyl)-isoquinolin-1-ylmethanol
SMILESCc1cc(C)cc(C(O)c2nccc3ccccc23)c1
InChIInChI=1S/C18H17NO/c1-12-9-13(2)11-15(10-12)18(20)17-16-6-4-3-5-14(16)7-8-19-17/h3-11,18,20H,1-2H3
InChIKeyJSZBFPNVQGNRRL-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.93
Rot. Bonds2

About (3,5-dimethylphenyl)-isoquinolin-1-ylmethanol

(3,5-dimethylphenyl)-isoquinolin-1-ylmethanol (PubChem CID 63948839) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-isoquinolin-1-ylmethanol.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-isoquinolin-1-ylmethanol
PubChem CID63948839
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name(3,5-dimethylphenyl)-isoquinolin-1-ylmethanol
SMILESCc1cc(C)cc(C(O)c2nccc3ccccc23)c1
InChIInChI=1S/C18H17NO/c1-12-9-13(2)11-15(10-12)18(20)17-16-6-4-3-5-14(16)7-8-19-17/h3-11,18,20H,1-2H3
InChIKeyJSZBFPNVQGNRRL-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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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-isoquinolin-1-ylmethanol?
The IUPAC name of (3,5-dimethylphenyl)-isoquinolin-1-ylmethanol (CID 63948839) is (3,5-dimethylphenyl)-isoquinolin-1-ylmethanol.
What is the SMILES notation for (3,5-dimethylphenyl)-isoquinolin-1-ylmethanol?
The canonical SMILES for (3,5-dimethylphenyl)-isoquinolin-1-ylmethanol is Cc1cc(C)cc(C(O)c2nccc3ccccc23)c1.
What is the InChIKey of (3,5-dimethylphenyl)-isoquinolin-1-ylmethanol?
The InChIKey is JSZBFPNVQGNRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-12-9-13(2)11-15(10-12)18(20)17-16-6-4-3-5-14(16)7-8-19-17/h3-11,18,20H,1-2H3.
What are the key properties of (3,5-dimethylphenyl)-isoquinolin-1-ylmethanol?
(3,5-dimethylphenyl)-isoquinolin-1-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-1-ylmethanol is sourced from PubChem (CID 63948839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).