phenanthren-3-yl 2-morpholin-4-ylacetate

C20H19NO3 — CID 150233502

IUPACphenanthren-3-yl 2-morpholin-4-ylacetate
SMILESO=C(CN1CCOCC1)Oc1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C20H19NO3/c22-20(14-21-9-11-23-12-10-21)24-17-8-7-16-6-5-15-3-1-2-4-18(15)19(16)13-17/h1-8,13H,9-12,14H2
InChIKeyFVZORTWKCYWGON-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.23
Rot. Bonds3

About phenanthren-3-yl 2-morpholin-4-ylacetate

phenanthren-3-yl 2-morpholin-4-ylacetate (PubChem CID 150233502) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is phenanthren-3-yl 2-morpholin-4-ylacetate.

Molecular Properties

Compound Namephenanthren-3-yl 2-morpholin-4-ylacetate
PubChem CID150233502
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Namephenanthren-3-yl 2-morpholin-4-ylacetate
SMILESO=C(CN1CCOCC1)Oc1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C20H19NO3/c22-20(14-21-9-11-23-12-10-21)24-17-8-7-16-6-5-15-3-1-2-4-18(15)19(16)13-17/h1-8,13H,9-12,14H2
InChIKeyFVZORTWKCYWGON-UHFFFAOYSA-N
XLogP3.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenanthren-3-yl 2-morpholin-4-ylacetate?
The IUPAC name of phenanthren-3-yl 2-morpholin-4-ylacetate (CID 150233502) is phenanthren-3-yl 2-morpholin-4-ylacetate.
What is the SMILES notation for phenanthren-3-yl 2-morpholin-4-ylacetate?
The canonical SMILES for phenanthren-3-yl 2-morpholin-4-ylacetate is O=C(CN1CCOCC1)Oc1ccc2ccc3ccccc3c2c1.
What is the InChIKey of phenanthren-3-yl 2-morpholin-4-ylacetate?
The InChIKey is FVZORTWKCYWGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c22-20(14-21-9-11-23-12-10-21)24-17-8-7-16-6-5-15-3-1-2-4-18(15)19(16)13-17/h1-8,13H,9-12,14H2.
What are the key properties of phenanthren-3-yl 2-morpholin-4-ylacetate?
phenanthren-3-yl 2-morpholin-4-ylacetate has a molecular weight of 321.38 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthren-3-yl 2-morpholin-4-ylacetate is sourced from PubChem (CID 150233502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).