4-phenanthren-9-ylmorpholine

C18H17NO — CID 134943048

IUPAC4-phenanthren-9-ylmorpholine
SMILESc1ccc2c(c1)cc(N1CCOCC1)c1ccccc12
InChIInChI=1S/C18H17NO/c1-2-6-15-14(5-1)13-18(19-9-11-20-12-10-19)17-8-4-3-7-16(15)17/h1-8,13H,9-12H2
InChIKeyVMNUIGRVNCQDFY-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.83
Rot. Bonds1

About 4-phenanthren-9-ylmorpholine

4-phenanthren-9-ylmorpholine (PubChem CID 134943048) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-phenanthren-9-ylmorpholine.

Molecular Properties

Compound Name4-phenanthren-9-ylmorpholine
PubChem CID134943048
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name4-phenanthren-9-ylmorpholine
SMILESc1ccc2c(c1)cc(N1CCOCC1)c1ccccc12
InChIInChI=1S/C18H17NO/c1-2-6-15-14(5-1)13-18(19-9-11-20-12-10-19)17-8-4-3-7-16(15)17/h1-8,13H,9-12H2
InChIKeyVMNUIGRVNCQDFY-UHFFFAOYSA-N
XLogP3.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-phenanthren-9-ylmorpholine?
The IUPAC name of 4-phenanthren-9-ylmorpholine (CID 134943048) is 4-phenanthren-9-ylmorpholine.
What is the SMILES notation for 4-phenanthren-9-ylmorpholine?
The canonical SMILES for 4-phenanthren-9-ylmorpholine is c1ccc2c(c1)cc(N1CCOCC1)c1ccccc12.
What is the InChIKey of 4-phenanthren-9-ylmorpholine?
The InChIKey is VMNUIGRVNCQDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-2-6-15-14(5-1)13-18(19-9-11-20-12-10-19)17-8-4-3-7-16(15)17/h1-8,13H,9-12H2.
What are the key properties of 4-phenanthren-9-ylmorpholine?
4-phenanthren-9-ylmorpholine has a molecular weight of 263.34 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenanthren-9-ylmorpholine is sourced from PubChem (CID 134943048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).