4-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]morpholine

C21H22FNO3 — CID 122501740

IUPAC4-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]morpholine
SMILESCOc1ccc2c(c1)C(c1ccc(F)cc1)=C(CN1CCOCC1)CO2
InChIInChI=1S/C21H22FNO3/c1-24-18-6-7-20-19(12-18)21(15-2-4-17(22)5-3-15)16(14-26-20)13-23-8-10-25-11-9-23/h2-7,12H,8-11,13-14H2,1H3
InChIKeyYLZCQYSZRXAZJX-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.36
Rot. Bonds4

About 4-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]morpholine

4-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]morpholine (PubChem CID 122501740) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]morpholine
PubChem CID122501740
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name4-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]morpholine
SMILESCOc1ccc2c(c1)C(c1ccc(F)cc1)=C(CN1CCOCC1)CO2
InChIInChI=1S/C21H22FNO3/c1-24-18-6-7-20-19(12-18)21(15-2-4-17(22)5-3-15)16(14-26-20)13-23-8-10-25-11-9-23/h2-7,12H,8-11,13-14H2,1H3
InChIKeyYLZCQYSZRXAZJX-UHFFFAOYSA-N
XLogP3.36
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]morpholine?
The IUPAC name of 4-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]morpholine (CID 122501740) is 4-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]morpholine is COc1ccc2c(c1)C(c1ccc(F)cc1)=C(CN1CCOCC1)CO2.
What is the InChIKey of 4-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]morpholine?
The InChIKey is YLZCQYSZRXAZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO3/c1-24-18-6-7-20-19(12-18)21(15-2-4-17(22)5-3-15)16(14-26-20)13-23-8-10-25-11-9-23/h2-7,12H,8-11,13-14H2,1H3.
What are the key properties of 4-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]morpholine?
4-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]morpholine has a molecular weight of 355.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]morpholine is sourced from PubChem (CID 122501740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).