4-[[(4S)-4-methyl-2-phenyl-4H-chromen-3-yl]methyl]morpholine

C21H23NO2 — CID 749653

IUPAC4-[[(4S)-4-methyl-2-phenyl-4H-chromen-3-yl]methyl]morpholine
SMILESC[C@@H]1C(CN2CCOCC2)=C(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C21H23NO2/c1-16-18-9-5-6-10-20(18)24-21(17-7-3-2-4-8-17)19(16)15-22-11-13-23-14-12-22/h2-10,16H,11-15H2,1H3/t16-/m0/s1
InChIKeyAPVZLLGXOUFZNY-INIZCTEOSA-N
MW321.42 g/mol
LogP3.93
Rot. Bonds3

About 4-[[(4S)-4-methyl-2-phenyl-4H-chromen-3-yl]methyl]morpholine

4-[[(4S)-4-methyl-2-phenyl-4H-chromen-3-yl]methyl]morpholine (PubChem CID 749653) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-[[(4S)-4-methyl-2-phenyl-4H-chromen-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(4S)-4-methyl-2-phenyl-4H-chromen-3-yl]methyl]morpholine
PubChem CID749653
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name4-[[(4S)-4-methyl-2-phenyl-4H-chromen-3-yl]methyl]morpholine
SMILESC[C@@H]1C(CN2CCOCC2)=C(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C21H23NO2/c1-16-18-9-5-6-10-20(18)24-21(17-7-3-2-4-8-17)19(16)15-22-11-13-23-14-12-22/h2-10,16H,11-15H2,1H3/t16-/m0/s1
InChIKeyAPVZLLGXOUFZNY-INIZCTEOSA-N
XLogP3.93
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[(4S)-4-methyl-2-phenyl-4H-chromen-3-yl]methyl]morpholine 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-[[(4S)-4-methyl-2-phenyl-4H-chromen-3-yl]methyl]morpholine?
The IUPAC name of 4-[[(4S)-4-methyl-2-phenyl-4H-chromen-3-yl]methyl]morpholine (CID 749653) is 4-[[(4S)-4-methyl-2-phenyl-4H-chromen-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(4S)-4-methyl-2-phenyl-4H-chromen-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[(4S)-4-methyl-2-phenyl-4H-chromen-3-yl]methyl]morpholine is C[C@@H]1C(CN2CCOCC2)=C(c2ccccc2)Oc2ccccc21.
What is the InChIKey of 4-[[(4S)-4-methyl-2-phenyl-4H-chromen-3-yl]methyl]morpholine?
The InChIKey is APVZLLGXOUFZNY-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23NO2/c1-16-18-9-5-6-10-20(18)24-21(17-7-3-2-4-8-17)19(16)15-22-11-13-23-14-12-22/h2-10,16H,11-15H2,1H3/t16-/m0/s1.
What are the key properties of 4-[[(4S)-4-methyl-2-phenyl-4H-chromen-3-yl]methyl]morpholine?
4-[[(4S)-4-methyl-2-phenyl-4H-chromen-3-yl]methyl]morpholine has a molecular weight of 321.42 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4S)-4-methyl-2-phenyl-4H-chromen-3-yl]methyl]morpholine is sourced from PubChem (CID 749653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).