4-[1-(2-bromophenyl)-3-phenylprop-2-ynyl]morpholine

C19H18BrNO — CID 58350878

IUPAC4-[1-(2-bromophenyl)-3-phenylprop-2-ynyl]morpholine
SMILESBrc1ccccc1C(C#Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C19H18BrNO/c20-18-9-5-4-8-17(18)19(21-12-14-22-15-13-21)11-10-16-6-2-1-3-7-16/h1-9,19H,12-15H2
InChIKeyPOOGYKHYXPJGEB-UHFFFAOYSA-N
MW356.26 g/mol
LogP3.87
Rot. Bonds2

About 4-[1-(2-bromophenyl)-3-phenylprop-2-ynyl]morpholine

4-[1-(2-bromophenyl)-3-phenylprop-2-ynyl]morpholine (PubChem CID 58350878) has the molecular formula C19H18BrNO and a molecular weight of 356.26 g/mol. Its IUPAC name is 4-[1-(2-bromophenyl)-3-phenylprop-2-ynyl]morpholine.

Molecular Properties

Compound Name4-[1-(2-bromophenyl)-3-phenylprop-2-ynyl]morpholine
PubChem CID58350878
Molecular FormulaC19H18BrNO
Molecular Weight356.26 g/mol
Exact Mass355.06
IUPAC Name4-[1-(2-bromophenyl)-3-phenylprop-2-ynyl]morpholine
SMILESBrc1ccccc1C(C#Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C19H18BrNO/c20-18-9-5-4-8-17(18)19(21-12-14-22-15-13-21)11-10-16-6-2-1-3-7-16/h1-9,19H,12-15H2
InChIKeyPOOGYKHYXPJGEB-UHFFFAOYSA-N
XLogP3.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-bromophenyl)-3-phenylprop-2-ynyl]morpholine?
The IUPAC name of 4-[1-(2-bromophenyl)-3-phenylprop-2-ynyl]morpholine (CID 58350878) is 4-[1-(2-bromophenyl)-3-phenylprop-2-ynyl]morpholine.
What is the SMILES notation for 4-[1-(2-bromophenyl)-3-phenylprop-2-ynyl]morpholine?
The canonical SMILES for 4-[1-(2-bromophenyl)-3-phenylprop-2-ynyl]morpholine is Brc1ccccc1C(C#Cc1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[1-(2-bromophenyl)-3-phenylprop-2-ynyl]morpholine?
The InChIKey is POOGYKHYXPJGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO/c20-18-9-5-4-8-17(18)19(21-12-14-22-15-13-21)11-10-16-6-2-1-3-7-16/h1-9,19H,12-15H2.
What are the key properties of 4-[1-(2-bromophenyl)-3-phenylprop-2-ynyl]morpholine?
4-[1-(2-bromophenyl)-3-phenylprop-2-ynyl]morpholine has a molecular weight of 356.26 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-bromophenyl)-3-phenylprop-2-ynyl]morpholine is sourced from PubChem (CID 58350878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).