(5-bromo-2-hydroxyphenyl) morpholine-4-carboxylate

C11H12BrNO4 — CID 142688140

IUPAC(5-bromo-2-hydroxyphenyl) morpholine-4-carboxylate
SMILESO=C(Oc1cc(Br)ccc1O)N1CCOCC1
InChIInChI=1S/C11H12BrNO4/c12-8-1-2-9(14)10(7-8)17-11(15)13-3-5-16-6-4-13/h1-2,7,14H,3-6H2
InChIKeyIEVSBYLVYOZUQZ-UHFFFAOYSA-N
MW302.12 g/mol
LogP1.99
Rot. Bonds1

About (5-bromo-2-hydroxyphenyl) morpholine-4-carboxylate

(5-bromo-2-hydroxyphenyl) morpholine-4-carboxylate (PubChem CID 142688140) has the molecular formula C11H12BrNO4 and a molecular weight of 302.12 g/mol. Its IUPAC name is (5-bromo-2-hydroxyphenyl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(5-bromo-2-hydroxyphenyl) morpholine-4-carboxylate
PubChem CID142688140
Molecular FormulaC11H12BrNO4
Molecular Weight302.12 g/mol
Exact Mass300.99
IUPAC Name(5-bromo-2-hydroxyphenyl) morpholine-4-carboxylate
SMILESO=C(Oc1cc(Br)ccc1O)N1CCOCC1
InChIInChI=1S/C11H12BrNO4/c12-8-1-2-9(14)10(7-8)17-11(15)13-3-5-16-6-4-13/h1-2,7,14H,3-6H2
InChIKeyIEVSBYLVYOZUQZ-UHFFFAOYSA-N
XLogP1.99
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-hydroxyphenyl) morpholine-4-carboxylate?
The IUPAC name of (5-bromo-2-hydroxyphenyl) morpholine-4-carboxylate (CID 142688140) is (5-bromo-2-hydroxyphenyl) morpholine-4-carboxylate.
What is the SMILES notation for (5-bromo-2-hydroxyphenyl) morpholine-4-carboxylate?
The canonical SMILES for (5-bromo-2-hydroxyphenyl) morpholine-4-carboxylate is O=C(Oc1cc(Br)ccc1O)N1CCOCC1.
What is the InChIKey of (5-bromo-2-hydroxyphenyl) morpholine-4-carboxylate?
The InChIKey is IEVSBYLVYOZUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO4/c12-8-1-2-9(14)10(7-8)17-11(15)13-3-5-16-6-4-13/h1-2,7,14H,3-6H2.
What are the key properties of (5-bromo-2-hydroxyphenyl) morpholine-4-carboxylate?
(5-bromo-2-hydroxyphenyl) morpholine-4-carboxylate has a molecular weight of 302.12 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-hydroxyphenyl) morpholine-4-carboxylate is sourced from PubChem (CID 142688140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).