(3-methoxyphenyl) morpholine-4-carboxylate

C12H15NO4 — CID 735634

IUPAC(3-methoxyphenyl) morpholine-4-carboxylate
SMILESCOc1cccc(OC(=O)N2CCOCC2)c1
InChIInChI=1S/C12H15NO4/c1-15-10-3-2-4-11(9-10)17-12(14)13-5-7-16-8-6-13/h2-4,9H,5-8H2,1H3
InChIKeyCHPPBDVTQXINHC-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.53
Rot. Bonds2

About (3-methoxyphenyl) morpholine-4-carboxylate

(3-methoxyphenyl) morpholine-4-carboxylate (PubChem CID 735634) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is (3-methoxyphenyl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(3-methoxyphenyl) morpholine-4-carboxylate
PubChem CID735634
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name(3-methoxyphenyl) morpholine-4-carboxylate
SMILESCOc1cccc(OC(=O)N2CCOCC2)c1
InChIInChI=1S/C12H15NO4/c1-15-10-3-2-4-11(9-10)17-12(14)13-5-7-16-8-6-13/h2-4,9H,5-8H2,1H3
InChIKeyCHPPBDVTQXINHC-UHFFFAOYSA-N
XLogP1.53
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl) morpholine-4-carboxylate?
The IUPAC name of (3-methoxyphenyl) morpholine-4-carboxylate (CID 735634) is (3-methoxyphenyl) morpholine-4-carboxylate.
What is the SMILES notation for (3-methoxyphenyl) morpholine-4-carboxylate?
The canonical SMILES for (3-methoxyphenyl) morpholine-4-carboxylate is COc1cccc(OC(=O)N2CCOCC2)c1.
What is the InChIKey of (3-methoxyphenyl) morpholine-4-carboxylate?
The InChIKey is CHPPBDVTQXINHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-15-10-3-2-4-11(9-10)17-12(14)13-5-7-16-8-6-13/h2-4,9H,5-8H2,1H3.
What are the key properties of (3-methoxyphenyl) morpholine-4-carboxylate?
(3-methoxyphenyl) morpholine-4-carboxylate has a molecular weight of 237.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl) morpholine-4-carboxylate is sourced from PubChem (CID 735634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).