4-[1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]phenol

C17H20N2O — CID 82980835

IUPAC4-[1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]phenol
SMILESCC(c1ccc(O)cc1)N1CCN(C)c2ccccc21
InChIInChI=1S/C17H20N2O/c1-13(14-7-9-15(20)10-8-14)19-12-11-18(2)16-5-3-4-6-17(16)19/h3-10,13,20H,11-12H2,1-2H3
InChIKeyRCFVLJHPESJYPM-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.41
Rot. Bonds2

About 4-[1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]phenol

4-[1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]phenol (PubChem CID 82980835) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]phenol
PubChem CID82980835
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-[1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]phenol
SMILESCC(c1ccc(O)cc1)N1CCN(C)c2ccccc21
InChIInChI=1S/C17H20N2O/c1-13(14-7-9-15(20)10-8-14)19-12-11-18(2)16-5-3-4-6-17(16)19/h3-10,13,20H,11-12H2,1-2H3
InChIKeyRCFVLJHPESJYPM-UHFFFAOYSA-N
XLogP3.41
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]phenol 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 4-[1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]phenol?
The IUPAC name of 4-[1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]phenol (CID 82980835) is 4-[1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]phenol.
What is the SMILES notation for 4-[1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]phenol?
The canonical SMILES for 4-[1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]phenol is CC(c1ccc(O)cc1)N1CCN(C)c2ccccc21.
What is the InChIKey of 4-[1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]phenol?
The InChIKey is RCFVLJHPESJYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13(14-7-9-15(20)10-8-14)19-12-11-18(2)16-5-3-4-6-17(16)19/h3-10,13,20H,11-12H2,1-2H3.
What are the key properties of 4-[1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]phenol?
4-[1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]phenol has a molecular weight of 268.36 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]phenol is sourced from PubChem (CID 82980835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).