2-methyl-4-phenyl-1,3-dihydroisoquinolin-4-ol

C16H17NO — CID 3081031

IUPAC2-methyl-4-phenyl-1,3-dihydroisoquinolin-4-ol
SMILESCN1Cc2ccccc2C(O)(c2ccccc2)C1
InChIInChI=1S/C16H17NO/c1-17-11-13-7-5-6-10-15(13)16(18,12-17)14-8-3-2-4-9-14/h2-10,18H,11-12H2,1H3
InChIKeyKEVNEIPRCIYVOT-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.37
Rot. Bonds1

About 2-methyl-4-phenyl-1,3-dihydroisoquinolin-4-ol

2-methyl-4-phenyl-1,3-dihydroisoquinolin-4-ol (PubChem CID 3081031) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methyl-4-phenyl-1,3-dihydroisoquinolin-4-ol.

Molecular Properties

Compound Name2-methyl-4-phenyl-1,3-dihydroisoquinolin-4-ol
PubChem CID3081031
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-methyl-4-phenyl-1,3-dihydroisoquinolin-4-ol
SMILESCN1Cc2ccccc2C(O)(c2ccccc2)C1
InChIInChI=1S/C16H17NO/c1-17-11-13-7-5-6-10-15(13)16(18,12-17)14-8-3-2-4-9-14/h2-10,18H,11-12H2,1H3
InChIKeyKEVNEIPRCIYVOT-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-1,3-dihydroisoquinolin-4-ol?
The IUPAC name of 2-methyl-4-phenyl-1,3-dihydroisoquinolin-4-ol (CID 3081031) is 2-methyl-4-phenyl-1,3-dihydroisoquinolin-4-ol.
What is the SMILES notation for 2-methyl-4-phenyl-1,3-dihydroisoquinolin-4-ol?
The canonical SMILES for 2-methyl-4-phenyl-1,3-dihydroisoquinolin-4-ol is CN1Cc2ccccc2C(O)(c2ccccc2)C1.
What is the InChIKey of 2-methyl-4-phenyl-1,3-dihydroisoquinolin-4-ol?
The InChIKey is KEVNEIPRCIYVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-17-11-13-7-5-6-10-15(13)16(18,12-17)14-8-3-2-4-9-14/h2-10,18H,11-12H2,1H3.
What are the key properties of 2-methyl-4-phenyl-1,3-dihydroisoquinolin-4-ol?
2-methyl-4-phenyl-1,3-dihydroisoquinolin-4-ol has a molecular weight of 239.32 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-1,3-dihydroisoquinolin-4-ol is sourced from PubChem (CID 3081031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).