(2-formyl-3,5-dimethoxyphenyl) morpholine-4-carboxylate

C14H17NO6 — CID 973792

IUPAC(2-formyl-3,5-dimethoxyphenyl) morpholine-4-carboxylate
SMILESCOc1cc(OC)c(C=O)c(OC(=O)N2CCOCC2)c1
InChIInChI=1S/C14H17NO6/c1-18-10-7-12(19-2)11(9-16)13(8-10)21-14(17)15-3-5-20-6-4-15/h7-9H,3-6H2,1-2H3
InChIKeyHSMVEBHDVWJJBG-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.35
Rot. Bonds4

About (2-formyl-3,5-dimethoxyphenyl) morpholine-4-carboxylate

(2-formyl-3,5-dimethoxyphenyl) morpholine-4-carboxylate (PubChem CID 973792) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is (2-formyl-3,5-dimethoxyphenyl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(2-formyl-3,5-dimethoxyphenyl) morpholine-4-carboxylate
PubChem CID973792
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name(2-formyl-3,5-dimethoxyphenyl) morpholine-4-carboxylate
SMILESCOc1cc(OC)c(C=O)c(OC(=O)N2CCOCC2)c1
InChIInChI=1S/C14H17NO6/c1-18-10-7-12(19-2)11(9-16)13(8-10)21-14(17)15-3-5-20-6-4-15/h7-9H,3-6H2,1-2H3
InChIKeyHSMVEBHDVWJJBG-UHFFFAOYSA-N
XLogP1.35
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-formyl-3,5-dimethoxyphenyl) morpholine-4-carboxylate?
The IUPAC name of (2-formyl-3,5-dimethoxyphenyl) morpholine-4-carboxylate (CID 973792) is (2-formyl-3,5-dimethoxyphenyl) morpholine-4-carboxylate.
What is the SMILES notation for (2-formyl-3,5-dimethoxyphenyl) morpholine-4-carboxylate?
The canonical SMILES for (2-formyl-3,5-dimethoxyphenyl) morpholine-4-carboxylate is COc1cc(OC)c(C=O)c(OC(=O)N2CCOCC2)c1.
What is the InChIKey of (2-formyl-3,5-dimethoxyphenyl) morpholine-4-carboxylate?
The InChIKey is HSMVEBHDVWJJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6/c1-18-10-7-12(19-2)11(9-16)13(8-10)21-14(17)15-3-5-20-6-4-15/h7-9H,3-6H2,1-2H3.
What are the key properties of (2-formyl-3,5-dimethoxyphenyl) morpholine-4-carboxylate?
(2-formyl-3,5-dimethoxyphenyl) morpholine-4-carboxylate has a molecular weight of 295.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formyl-3,5-dimethoxyphenyl) morpholine-4-carboxylate is sourced from PubChem (CID 973792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).