(3-chlorophenyl) morpholine-4-carboxylate

C11H12ClNO3 — CID 735622

IUPAC(3-chlorophenyl) morpholine-4-carboxylate
SMILESO=C(Oc1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C11H12ClNO3/c12-9-2-1-3-10(8-9)16-11(14)13-4-6-15-7-5-13/h1-3,8H,4-7H2
InChIKeyNUKOJTADPJYOKS-UHFFFAOYSA-N
MW241.67 g/mol
LogP2.17
Rot. Bonds1

About (3-chlorophenyl) morpholine-4-carboxylate

(3-chlorophenyl) morpholine-4-carboxylate (PubChem CID 735622) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is (3-chlorophenyl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(3-chlorophenyl) morpholine-4-carboxylate
PubChem CID735622
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name(3-chlorophenyl) morpholine-4-carboxylate
SMILESO=C(Oc1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C11H12ClNO3/c12-9-2-1-3-10(8-9)16-11(14)13-4-6-15-7-5-13/h1-3,8H,4-7H2
InChIKeyNUKOJTADPJYOKS-UHFFFAOYSA-N
XLogP2.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3,4-Dichlorophenoxy)ethyl]morpholine
CID 803039
Phenyl morpholine-4-carboxylate
CID 318911
4-[2-(4-Chlorophenoxy)ethyl]morpholine
CID 868407
4-Chlorophenyl piperidine-1-carboxylate
CID 726748
4-Methoxyphenyl 4-morpholinecarboxylate
CID 738841
4-(4-Chlorophenyloxycarbonyl)morpholine
CID 812959
4-Fluorophenyl morpholine-4-carboxylate
CID 2929568
4-Chlorophenyl morpholinocarbamate
CID 9856441
3-Chlorophenyl dimethylcarbamate
CID 225325
4-[2-(3-Chlorophenoxy)ethyl]morpholine ethanedioate
CID 644755
4-[2-(2,5-Dichlorophenoxy)ethyl]morpholine
CID 869248
2-{4-[2-(3-Chloro-phenoxy)-ethyl]-piperazin-1-yl}-ethanol
CID 11957308

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl) morpholine-4-carboxylate?
The IUPAC name of (3-chlorophenyl) morpholine-4-carboxylate (CID 735622) is (3-chlorophenyl) morpholine-4-carboxylate.
What is the SMILES notation for (3-chlorophenyl) morpholine-4-carboxylate?
The canonical SMILES for (3-chlorophenyl) morpholine-4-carboxylate is O=C(Oc1cccc(Cl)c1)N1CCOCC1.
What is the InChIKey of (3-chlorophenyl) morpholine-4-carboxylate?
The InChIKey is NUKOJTADPJYOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c12-9-2-1-3-10(8-9)16-11(14)13-4-6-15-7-5-13/h1-3,8H,4-7H2.
What are the key properties of (3-chlorophenyl) morpholine-4-carboxylate?
(3-chlorophenyl) morpholine-4-carboxylate has a molecular weight of 241.67 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl) morpholine-4-carboxylate is sourced from PubChem (CID 735622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).