(4-formyl-2-methoxyphenyl) morpholine-4-carboxylate

C13H15NO5 — CID 672860

IUPAC(4-formyl-2-methoxyphenyl) morpholine-4-carboxylate
SMILESCOc1cc(C=O)ccc1OC(=O)N1CCOCC1
InChIInChI=1S/C13H15NO5/c1-17-12-8-10(9-15)2-3-11(12)19-13(16)14-4-6-18-7-5-14/h2-3,8-9H,4-7H2,1H3
InChIKeyBDDRVKWDFUPFJD-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.34
Rot. Bonds3

About (4-formyl-2-methoxyphenyl) morpholine-4-carboxylate

(4-formyl-2-methoxyphenyl) morpholine-4-carboxylate (PubChem CID 672860) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is (4-formyl-2-methoxyphenyl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(4-formyl-2-methoxyphenyl) morpholine-4-carboxylate
PubChem CID672860
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name(4-formyl-2-methoxyphenyl) morpholine-4-carboxylate
SMILESCOc1cc(C=O)ccc1OC(=O)N1CCOCC1
InChIInChI=1S/C13H15NO5/c1-17-12-8-10(9-15)2-3-11(12)19-13(16)14-4-6-18-7-5-14/h2-3,8-9H,4-7H2,1H3
InChIKeyBDDRVKWDFUPFJD-UHFFFAOYSA-N
XLogP1.34
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 2430743
4-(2-Morpholin-4-yl-2-oxo-ethoxy)-benzaldehyde
CID 894260
2-Formyl-6-methoxyphenyl morpholine-4-carboxylate
CID 575110
(E)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 966574
3-Methoxy-4-(2-(morpholin-4-yl)-2-oxoethoxy)benzaldehyde
CID 689833
3-Methoxy-4-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]benzaldehyde
CID 2517806
N,N-diethyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 673707
(4-Propanoylphenyl) morpholine-4-carboxylate
CID 2927676
5-Formyl-2-methoxyphenyl morpholine-4-carboxylate
CID 575091
2-Chloro-4-formyl-6-methoxyphenyl morpholine-4-carboxylate
CID 575093
4-(Methoxycarbonyl)phenyl morpholine-4-carboxylate
CID 1080575
Morpholine, 4-(3,4-dimethoxybenzoyl)-
CID 89836

Frequently Asked Questions

What is the IUPAC name of (4-formyl-2-methoxyphenyl) morpholine-4-carboxylate?
The IUPAC name of (4-formyl-2-methoxyphenyl) morpholine-4-carboxylate (CID 672860) is (4-formyl-2-methoxyphenyl) morpholine-4-carboxylate.
What is the SMILES notation for (4-formyl-2-methoxyphenyl) morpholine-4-carboxylate?
The canonical SMILES for (4-formyl-2-methoxyphenyl) morpholine-4-carboxylate is COc1cc(C=O)ccc1OC(=O)N1CCOCC1.
What is the InChIKey of (4-formyl-2-methoxyphenyl) morpholine-4-carboxylate?
The InChIKey is BDDRVKWDFUPFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-17-12-8-10(9-15)2-3-11(12)19-13(16)14-4-6-18-7-5-14/h2-3,8-9H,4-7H2,1H3.
What are the key properties of (4-formyl-2-methoxyphenyl) morpholine-4-carboxylate?
(4-formyl-2-methoxyphenyl) morpholine-4-carboxylate has a molecular weight of 265.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formyl-2-methoxyphenyl) morpholine-4-carboxylate is sourced from PubChem (CID 672860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).