3-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol

C16H17NO — CID 83970735

IUPAC3-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESCC1Cc2ccc(O)cc2C(c2ccccc2)N1
InChIInChI=1S/C16H17NO/c1-11-9-13-7-8-14(18)10-15(13)16(17-11)12-5-3-2-4-6-12/h2-8,10-11,16-18H,9H2,1H3
InChIKeySHXKZKOCLBBVEU-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.02
Rot. Bonds1

About 3-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol

3-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol (PubChem CID 83970735) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol.

Molecular Properties

Compound Name3-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol
PubChem CID83970735
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESCC1Cc2ccc(O)cc2C(c2ccccc2)N1
InChIInChI=1S/C16H17NO/c1-11-9-13-7-8-14(18)10-15(13)16(17-11)12-5-3-2-4-6-12/h2-8,10-11,16-18H,9H2,1H3
InChIKeySHXKZKOCLBBVEU-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol?
The IUPAC name of 3-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol (CID 83970735) is 3-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol.
What is the SMILES notation for 3-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol?
The canonical SMILES for 3-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol is CC1Cc2ccc(O)cc2C(c2ccccc2)N1.
What is the InChIKey of 3-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol?
The InChIKey is SHXKZKOCLBBVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-9-13-7-8-14(18)10-15(13)16(17-11)12-5-3-2-4-6-12/h2-8,10-11,16-18H,9H2,1H3.
What are the key properties of 3-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol?
3-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol has a molecular weight of 239.32 g/mol, XLogP of 3.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol is sourced from PubChem (CID 83970735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).