(2-ethoxy-4-formylphenyl) morpholine-4-carboxylate

C14H17NO5 — CID 575090

IUPAC(2-ethoxy-4-formylphenyl) morpholine-4-carboxylate
SMILESCCOc1cc(C=O)ccc1OC(=O)N1CCOCC1
InChIInChI=1S/C14H17NO5/c1-2-19-13-9-11(10-16)3-4-12(13)20-14(17)15-5-7-18-8-6-15/h3-4,9-10H,2,5-8H2,1H3
InChIKeyAUXDAQSSVRYZHL-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.73
Rot. Bonds4

About (2-ethoxy-4-formylphenyl) morpholine-4-carboxylate

(2-ethoxy-4-formylphenyl) morpholine-4-carboxylate (PubChem CID 575090) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (2-ethoxy-4-formylphenyl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(2-ethoxy-4-formylphenyl) morpholine-4-carboxylate
PubChem CID575090
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(2-ethoxy-4-formylphenyl) morpholine-4-carboxylate
SMILESCCOc1cc(C=O)ccc1OC(=O)N1CCOCC1
InChIInChI=1S/C14H17NO5/c1-2-19-13-9-11(10-16)3-4-12(13)20-14(17)15-5-7-18-8-6-15/h3-4,9-10H,2,5-8H2,1H3
InChIKeyAUXDAQSSVRYZHL-UHFFFAOYSA-N
XLogP1.73
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-4-formylphenyl) morpholine-4-carboxylate?
The IUPAC name of (2-ethoxy-4-formylphenyl) morpholine-4-carboxylate (CID 575090) is (2-ethoxy-4-formylphenyl) morpholine-4-carboxylate.
What is the SMILES notation for (2-ethoxy-4-formylphenyl) morpholine-4-carboxylate?
The canonical SMILES for (2-ethoxy-4-formylphenyl) morpholine-4-carboxylate is CCOc1cc(C=O)ccc1OC(=O)N1CCOCC1.
What is the InChIKey of (2-ethoxy-4-formylphenyl) morpholine-4-carboxylate?
The InChIKey is AUXDAQSSVRYZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-2-19-13-9-11(10-16)3-4-12(13)20-14(17)15-5-7-18-8-6-15/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of (2-ethoxy-4-formylphenyl) morpholine-4-carboxylate?
(2-ethoxy-4-formylphenyl) morpholine-4-carboxylate has a molecular weight of 279.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-4-formylphenyl) morpholine-4-carboxylate is sourced from PubChem (CID 575090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).