(2-chloro-4-formyl-6-methoxyphenyl) morpholine-4-carboxylate

C13H14ClNO5 — CID 575093

IUPAC(2-chloro-4-formyl-6-methoxyphenyl) morpholine-4-carboxylate
SMILESCOc1cc(C=O)cc(Cl)c1OC(=O)N1CCOCC1
InChIInChI=1S/C13H14ClNO5/c1-18-11-7-9(8-16)6-10(14)12(11)20-13(17)15-2-4-19-5-3-15/h6-8H,2-5H2,1H3
InChIKeyNGDBWJXPRWHXAT-UHFFFAOYSA-N
MW299.71 g/mol
LogP1.99
Rot. Bonds3

About (2-chloro-4-formyl-6-methoxyphenyl) morpholine-4-carboxylate

(2-chloro-4-formyl-6-methoxyphenyl) morpholine-4-carboxylate (PubChem CID 575093) has the molecular formula C13H14ClNO5 and a molecular weight of 299.71 g/mol. Its IUPAC name is (2-chloro-4-formyl-6-methoxyphenyl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(2-chloro-4-formyl-6-methoxyphenyl) morpholine-4-carboxylate
PubChem CID575093
Molecular FormulaC13H14ClNO5
Molecular Weight299.71 g/mol
Exact Mass299.06
IUPAC Name(2-chloro-4-formyl-6-methoxyphenyl) morpholine-4-carboxylate
SMILESCOc1cc(C=O)cc(Cl)c1OC(=O)N1CCOCC1
InChIInChI=1S/C13H14ClNO5/c1-18-11-7-9(8-16)6-10(14)12(11)20-13(17)15-2-4-19-5-3-15/h6-8H,2-5H2,1H3
InChIKeyNGDBWJXPRWHXAT-UHFFFAOYSA-N
XLogP1.99
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 51.99
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

5-Formyl-2-methoxyphenyl morpholine-4-carboxylate
CID 575091
4-Formyl-2-methoxyphenyl morpholine-4-carboxylate
CID 672860
(7-Chloro-1,3-benzodioxol-5-yl)-(2-methylmorpholin-4-yl)methanone
CID 24630449
1-(3-Chloro-4,5-dimethoxybenzoyl)piperidine
CID 2301958
2-Chloro-4-formyl-6-methoxyphenyl acetate
CID 889376
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 61492178
(2-Morpholin-4-yl-2-oxoethyl) 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 2460410
4-(3-Chloro-5-ethoxy-4-propoxybenzoyl)morpholine
CID 2968000
Tert-butyl 4-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperazine-1-carboxylate
CID 17482053
[2-Oxo-2-(propylamino)ethyl] 3-chloro-4,5-dimethoxybenzoate
CID 17497937
Morpholine-4-carboxylic acid, 2-ethoxy-4-formylphenyl ester
CID 575090
2-(2-Chloro-4-formyl-6-methoxyphenoxy)-N-ethylacetamide
CID 16769929

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-formyl-6-methoxyphenyl) morpholine-4-carboxylate?
The IUPAC name of (2-chloro-4-formyl-6-methoxyphenyl) morpholine-4-carboxylate (CID 575093) is (2-chloro-4-formyl-6-methoxyphenyl) morpholine-4-carboxylate.
What is the SMILES notation for (2-chloro-4-formyl-6-methoxyphenyl) morpholine-4-carboxylate?
The canonical SMILES for (2-chloro-4-formyl-6-methoxyphenyl) morpholine-4-carboxylate is COc1cc(C=O)cc(Cl)c1OC(=O)N1CCOCC1.
What is the InChIKey of (2-chloro-4-formyl-6-methoxyphenyl) morpholine-4-carboxylate?
The InChIKey is NGDBWJXPRWHXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO5/c1-18-11-7-9(8-16)6-10(14)12(11)20-13(17)15-2-4-19-5-3-15/h6-8H,2-5H2,1H3.
What are the key properties of (2-chloro-4-formyl-6-methoxyphenyl) morpholine-4-carboxylate?
(2-chloro-4-formyl-6-methoxyphenyl) morpholine-4-carboxylate has a molecular weight of 299.71 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-formyl-6-methoxyphenyl) morpholine-4-carboxylate is sourced from PubChem (CID 575093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).