2-(3-hydroxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone

C17H17NO2 — CID 116561963

IUPAC2-(3-hydroxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
SMILESO=C(Cc1cccc(O)c1)C1NCCc2ccccc21
InChIInChI=1S/C17H17NO2/c19-14-6-3-4-12(10-14)11-16(20)17-15-7-2-1-5-13(15)8-9-18-17/h1-7,10,17-19H,8-9,11H2
InChIKeyVVGFMCCVZIQISK-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.39
Rot. Bonds3

About 2-(3-hydroxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone

2-(3-hydroxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone (PubChem CID 116561963) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
PubChem CID116561963
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-(3-hydroxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
SMILESO=C(Cc1cccc(O)c1)C1NCCc2ccccc21
InChIInChI=1S/C17H17NO2/c19-14-6-3-4-12(10-14)11-16(20)17-15-7-2-1-5-13(15)8-9-18-17/h1-7,10,17-19H,8-9,11H2
InChIKeyVVGFMCCVZIQISK-UHFFFAOYSA-N
XLogP2.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-hydroxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone 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 2-(3-hydroxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone?
The IUPAC name of 2-(3-hydroxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone (CID 116561963) is 2-(3-hydroxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone.
What is the SMILES notation for 2-(3-hydroxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone?
The canonical SMILES for 2-(3-hydroxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone is O=C(Cc1cccc(O)c1)C1NCCc2ccccc21.
What is the InChIKey of 2-(3-hydroxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone?
The InChIKey is VVGFMCCVZIQISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-14-6-3-4-12(10-14)11-16(20)17-15-7-2-1-5-13(15)8-9-18-17/h1-7,10,17-19H,8-9,11H2.
What are the key properties of 2-(3-hydroxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone?
2-(3-hydroxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone has a molecular weight of 267.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone is sourced from PubChem (CID 116561963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).