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

C11H13NO — CID 145257648

IUPAC1,3-dimethyl-3,4-dihydroisoquinolin-4-ol
SMILESCC1=NC(C)C(O)c2ccccc21
InChIInChI=1S/C11H13NO/c1-7-9-5-3-4-6-10(9)11(13)8(2)12-7/h3-6,8,11,13H,1-2H3
InChIKeyMQHXIWGYEWSREK-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.93
Rot. Bonds

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

1,3-dimethyl-3,4-dihydroisoquinolin-4-ol (PubChem CID 145257648) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1,3-dimethyl-3,4-dihydroisoquinolin-4-ol.

Molecular Properties

Compound Name1,3-dimethyl-3,4-dihydroisoquinolin-4-ol
PubChem CID145257648
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1,3-dimethyl-3,4-dihydroisoquinolin-4-ol
SMILESCC1=NC(C)C(O)c2ccccc21
InChIInChI=1S/C11H13NO/c1-7-9-5-3-4-6-10(9)11(13)8(2)12-7/h3-6,8,11,13H,1-2H3
InChIKeyMQHXIWGYEWSREK-UHFFFAOYSA-N
XLogP1.93
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-3,4-dihydroisoquinolin-4-ol?
The IUPAC name of 1,3-dimethyl-3,4-dihydroisoquinolin-4-ol (CID 145257648) is 1,3-dimethyl-3,4-dihydroisoquinolin-4-ol.
What is the SMILES notation for 1,3-dimethyl-3,4-dihydroisoquinolin-4-ol?
The canonical SMILES for 1,3-dimethyl-3,4-dihydroisoquinolin-4-ol is CC1=NC(C)C(O)c2ccccc21.
What is the InChIKey of 1,3-dimethyl-3,4-dihydroisoquinolin-4-ol?
The InChIKey is MQHXIWGYEWSREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-7-9-5-3-4-6-10(9)11(13)8(2)12-7/h3-6,8,11,13H,1-2H3.
What are the key properties of 1,3-dimethyl-3,4-dihydroisoquinolin-4-ol?
1,3-dimethyl-3,4-dihydroisoquinolin-4-ol has a molecular weight of 175.23 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3,4-dihydroisoquinolin-4-ol is sourced from PubChem (CID 145257648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).