4-[3-[(3R)-3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine

C33H31FN2O3 — CID 21305843

About 4-[3-[(3R)-3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine

4-[3-[(3R)-3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine (PubChem CID 21305843) has the molecular formula C33H31FN2O3 and a molecular weight of 522.62 g/mol. Its IUPAC name is 4-[3-[(3R)-3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine.

Molecular Properties

• Compound Name: 4-[3-[(3R)-3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine
• PubChem CID: 21305843
• Molecular Formula: C33H31FN2O3
• Molecular Weight: 522.62 g/mol
• Exact Mass: 522.23
• IUPAC Name: 4-[3-[(3R)-3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine
• SMILES: Fc1ccccc1[C@]1(c2cccc(N3CCOCC3)c2)C=Cc2c(cc(N3CCOCC3)c3ccccc23)O1
• InChI: InChI=1S/C33H31FN2O3/c34-30-11-4-3-10-29(30)33(24-6-5-7-25(22-24)35-14-18-37-19-15-35)13-12-28-26-8-1-2-9-27(26)31(23-32(28)39-33)36-16-20-38-21-17-36/h1-13,22-23H,14-21H2/t33-/m1/s1
• InChIKey: ONJLZDBDSFGKQT-MGBGTMOVSA-N
• XLogP: 6.00
• TPSA: 34.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.62
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3R)-3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine?

The IUPAC name of 4-[3-[(3R)-3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine (CID 21305843) is 4-[3-[(3R)-3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine.

What is the SMILES notation for 4-[3-[(3R)-3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine?

The canonical SMILES for 4-[3-[(3R)-3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine is Fc1ccccc1[C@]1(c2cccc(N3CCOCC3)c2)C=Cc2c(cc(N3CCOCC3)c3ccccc23)O1.

What is the InChIKey of 4-[3-[(3R)-3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine?

The InChIKey is ONJLZDBDSFGKQT-MGBGTMOVSA-N. The full InChI is InChI=1S/C33H31FN2O3/c34-30-11-4-3-10-29(30)33(24-6-5-7-25(22-24)35-14-18-37-19-15-35)13-12-28-26-8-1-2-9-27(26)31(23-32(28)39-33)36-16-20-38-21-17-36/h1-13,22-23H,14-21H2/t33-/m1/s1.

What are the key properties of 4-[3-[(3R)-3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine?

4-[3-[(3R)-3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine has a molecular weight of 522.62 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[(3R)-3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine is sourced from PubChem (CID 21305843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).