(3,4,5-trimethoxyphenyl) morpholine-4-carboxylate

C14H19NO6 — CID 3051877

IUPAC(3,4,5-trimethoxyphenyl) morpholine-4-carboxylate
SMILESCOc1cc(OC(=O)N2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C14H19NO6/c1-17-11-8-10(9-12(18-2)13(11)19-3)21-14(16)15-4-6-20-7-5-15/h8-9H,4-7H2,1-3H3
InChIKeyVSLKSOXIDKKVSA-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.54
Rot. Bonds4

About (3,4,5-trimethoxyphenyl) morpholine-4-carboxylate

(3,4,5-trimethoxyphenyl) morpholine-4-carboxylate (PubChem CID 3051877) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is (3,4,5-trimethoxyphenyl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(3,4,5-trimethoxyphenyl) morpholine-4-carboxylate
PubChem CID3051877
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name(3,4,5-trimethoxyphenyl) morpholine-4-carboxylate
SMILESCOc1cc(OC(=O)N2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C14H19NO6/c1-17-11-8-10(9-12(18-2)13(11)19-3)21-14(16)15-4-6-20-7-5-15/h8-9H,4-7H2,1-3H3
InChIKeyVSLKSOXIDKKVSA-UHFFFAOYSA-N
XLogP1.54
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,4,5-trimethoxyphenyl) morpholine-4-carboxylate?
The IUPAC name of (3,4,5-trimethoxyphenyl) morpholine-4-carboxylate (CID 3051877) is (3,4,5-trimethoxyphenyl) morpholine-4-carboxylate.
What is the SMILES notation for (3,4,5-trimethoxyphenyl) morpholine-4-carboxylate?
The canonical SMILES for (3,4,5-trimethoxyphenyl) morpholine-4-carboxylate is COc1cc(OC(=O)N2CCOCC2)cc(OC)c1OC.
What is the InChIKey of (3,4,5-trimethoxyphenyl) morpholine-4-carboxylate?
The InChIKey is VSLKSOXIDKKVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-17-11-8-10(9-12(18-2)13(11)19-3)21-14(16)15-4-6-20-7-5-15/h8-9H,4-7H2,1-3H3.
What are the key properties of (3,4,5-trimethoxyphenyl) morpholine-4-carboxylate?
(3,4,5-trimethoxyphenyl) morpholine-4-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-trimethoxyphenyl) morpholine-4-carboxylate is sourced from PubChem (CID 3051877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).