4-[3-[4-(2-bromophenoxy)phenyl]but-2-enyl]morpholine

C20H22BrNO2 — CID 54478341

IUPAC4-[3-[4-(2-bromophenoxy)phenyl]but-2-enyl]morpholine
SMILESCC(=CCN1CCOCC1)c1ccc(Oc2ccccc2Br)cc1
InChIInChI=1S/C20H22BrNO2/c1-16(10-11-22-12-14-23-15-13-22)17-6-8-18(9-7-17)24-20-5-3-2-4-19(20)21/h2-10H,11-15H2,1H3
InChIKeyXNESKAFOVUPTPU-UHFFFAOYSA-N
MW388.31 g/mol
LogP4.98
Rot. Bonds5

About 4-[3-[4-(2-bromophenoxy)phenyl]but-2-enyl]morpholine

4-[3-[4-(2-bromophenoxy)phenyl]but-2-enyl]morpholine (PubChem CID 54478341) has the molecular formula C20H22BrNO2 and a molecular weight of 388.31 g/mol. Its IUPAC name is 4-[3-[4-(2-bromophenoxy)phenyl]but-2-enyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(2-bromophenoxy)phenyl]but-2-enyl]morpholine
PubChem CID54478341
Molecular FormulaC20H22BrNO2
Molecular Weight388.31 g/mol
Exact Mass387.08
IUPAC Name4-[3-[4-(2-bromophenoxy)phenyl]but-2-enyl]morpholine
SMILESCC(=CCN1CCOCC1)c1ccc(Oc2ccccc2Br)cc1
InChIInChI=1S/C20H22BrNO2/c1-16(10-11-22-12-14-23-15-13-22)17-6-8-18(9-7-17)24-20-5-3-2-4-19(20)21/h2-10H,11-15H2,1H3
InChIKeyXNESKAFOVUPTPU-UHFFFAOYSA-N
XLogP4.98
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2-bromophenoxy)phenyl]but-2-enyl]morpholine?
The IUPAC name of 4-[3-[4-(2-bromophenoxy)phenyl]but-2-enyl]morpholine (CID 54478341) is 4-[3-[4-(2-bromophenoxy)phenyl]but-2-enyl]morpholine.
What is the SMILES notation for 4-[3-[4-(2-bromophenoxy)phenyl]but-2-enyl]morpholine?
The canonical SMILES for 4-[3-[4-(2-bromophenoxy)phenyl]but-2-enyl]morpholine is CC(=CCN1CCOCC1)c1ccc(Oc2ccccc2Br)cc1.
What is the InChIKey of 4-[3-[4-(2-bromophenoxy)phenyl]but-2-enyl]morpholine?
The InChIKey is XNESKAFOVUPTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO2/c1-16(10-11-22-12-14-23-15-13-22)17-6-8-18(9-7-17)24-20-5-3-2-4-19(20)21/h2-10H,11-15H2,1H3.
What are the key properties of 4-[3-[4-(2-bromophenoxy)phenyl]but-2-enyl]morpholine?
4-[3-[4-(2-bromophenoxy)phenyl]but-2-enyl]morpholine has a molecular weight of 388.31 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2-bromophenoxy)phenyl]but-2-enyl]morpholine is sourced from PubChem (CID 54478341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).