2,4-dimethyl-1,3-dihydroisoquinolin-4-ol

C11H15NO — CID 13117140

IUPAC2,4-dimethyl-1,3-dihydroisoquinolin-4-ol
SMILESCN1Cc2ccccc2C(C)(O)C1
InChIInChI=1S/C11H15NO/c1-11(13)8-12(2)7-9-5-3-4-6-10(9)11/h3-6,13H,7-8H2,1-2H3
InChIKeyJUCALEKIMQPKJC-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.34
Rot. Bonds

About 2,4-dimethyl-1,3-dihydroisoquinolin-4-ol

2,4-dimethyl-1,3-dihydroisoquinolin-4-ol (PubChem CID 13117140) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-dihydroisoquinolin-4-ol.

Molecular Properties

Compound Name2,4-dimethyl-1,3-dihydroisoquinolin-4-ol
PubChem CID13117140
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2,4-dimethyl-1,3-dihydroisoquinolin-4-ol
SMILESCN1Cc2ccccc2C(C)(O)C1
InChIInChI=1S/C11H15NO/c1-11(13)8-12(2)7-9-5-3-4-6-10(9)11/h3-6,13H,7-8H2,1-2H3
InChIKeyJUCALEKIMQPKJC-UHFFFAOYSA-N
XLogP1.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-dihydroisoquinolin-4-ol?
The IUPAC name of 2,4-dimethyl-1,3-dihydroisoquinolin-4-ol (CID 13117140) is 2,4-dimethyl-1,3-dihydroisoquinolin-4-ol.
What is the SMILES notation for 2,4-dimethyl-1,3-dihydroisoquinolin-4-ol?
The canonical SMILES for 2,4-dimethyl-1,3-dihydroisoquinolin-4-ol is CN1Cc2ccccc2C(C)(O)C1.
What is the InChIKey of 2,4-dimethyl-1,3-dihydroisoquinolin-4-ol?
The InChIKey is JUCALEKIMQPKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-11(13)8-12(2)7-9-5-3-4-6-10(9)11/h3-6,13H,7-8H2,1-2H3.
What are the key properties of 2,4-dimethyl-1,3-dihydroisoquinolin-4-ol?
2,4-dimethyl-1,3-dihydroisoquinolin-4-ol has a molecular weight of 177.25 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-dihydroisoquinolin-4-ol is sourced from PubChem (CID 13117140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).