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

C19H18ClNO — CID 11652528

IUPAC4-[1-(4-chlorophenyl)-3-phenylprop-2-ynyl]morpholine
SMILESClc1ccc(C(C#Cc2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C19H18ClNO/c20-18-9-7-17(8-10-18)19(21-12-14-22-15-13-21)11-6-16-4-2-1-3-5-16/h1-5,7-10,19H,12-15H2
InChIKeyCBYMZUBRMUHWCF-UHFFFAOYSA-N
MW311.81 g/mol
LogP3.77
Rot. Bonds2

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

4-[1-(4-chlorophenyl)-3-phenylprop-2-ynyl]morpholine (PubChem CID 11652528) has the molecular formula C19H18ClNO and a molecular weight of 311.81 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-3-phenylprop-2-ynyl]morpholine.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-3-phenylprop-2-ynyl]morpholine
PubChem CID11652528
Molecular FormulaC19H18ClNO
Molecular Weight311.81 g/mol
Exact Mass311.11
IUPAC Name4-[1-(4-chlorophenyl)-3-phenylprop-2-ynyl]morpholine
SMILESClc1ccc(C(C#Cc2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C19H18ClNO/c20-18-9-7-17(8-10-18)19(21-12-14-22-15-13-21)11-6-16-4-2-1-3-5-16/h1-5,7-10,19H,12-15H2
InChIKeyCBYMZUBRMUHWCF-UHFFFAOYSA-N
XLogP3.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.77
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-(4-chlorophenyl)-3-phenylprop-2-ynyl]morpholine?
The IUPAC name of 4-[1-(4-chlorophenyl)-3-phenylprop-2-ynyl]morpholine (CID 11652528) is 4-[1-(4-chlorophenyl)-3-phenylprop-2-ynyl]morpholine.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-3-phenylprop-2-ynyl]morpholine?
The canonical SMILES for 4-[1-(4-chlorophenyl)-3-phenylprop-2-ynyl]morpholine is Clc1ccc(C(C#Cc2ccccc2)N2CCOCC2)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-3-phenylprop-2-ynyl]morpholine?
The InChIKey is CBYMZUBRMUHWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO/c20-18-9-7-17(8-10-18)19(21-12-14-22-15-13-21)11-6-16-4-2-1-3-5-16/h1-5,7-10,19H,12-15H2.
What are the key properties of 4-[1-(4-chlorophenyl)-3-phenylprop-2-ynyl]morpholine?
4-[1-(4-chlorophenyl)-3-phenylprop-2-ynyl]morpholine has a molecular weight of 311.81 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-3-phenylprop-2-ynyl]morpholine is sourced from PubChem (CID 11652528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).