(3-chloro-5-ethoxy-4-propoxyphenyl)-morpholin-4-ylmethanone

C16H22ClNO4 — CID 2968000

IUPAC(3-chloro-5-ethoxy-4-propoxyphenyl)-morpholin-4-ylmethanone
SMILESCCCOc1c(Cl)cc(C(=O)N2CCOCC2)cc1OCC
InChIInChI=1S/C16H22ClNO4/c1-3-7-22-15-13(17)10-12(11-14(15)21-4-2)16(19)18-5-8-20-9-6-18/h10-11H,3-9H2,1-2H3
InChIKeyYZBIOGABBLBBFL-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.00
Rot. Bonds6

About (3-chloro-5-ethoxy-4-propoxyphenyl)-morpholin-4-ylmethanone

(3-chloro-5-ethoxy-4-propoxyphenyl)-morpholin-4-ylmethanone (PubChem CID 2968000) has the molecular formula C16H22ClNO4 and a molecular weight of 327.81 g/mol. Its IUPAC name is (3-chloro-5-ethoxy-4-propoxyphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-chloro-5-ethoxy-4-propoxyphenyl)-morpholin-4-ylmethanone
PubChem CID2968000
Molecular FormulaC16H22ClNO4
Molecular Weight327.81 g/mol
Exact Mass327.12
IUPAC Name(3-chloro-5-ethoxy-4-propoxyphenyl)-morpholin-4-ylmethanone
SMILESCCCOc1c(Cl)cc(C(=O)N2CCOCC2)cc1OCC
InChIInChI=1S/C16H22ClNO4/c1-3-7-22-15-13(17)10-12(11-14(15)21-4-2)16(19)18-5-8-20-9-6-18/h10-11H,3-9H2,1-2H3
InChIKeyYZBIOGABBLBBFL-UHFFFAOYSA-N
XLogP3.00
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-ethoxy-4-propoxyphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (3-chloro-5-ethoxy-4-propoxyphenyl)-morpholin-4-ylmethanone (CID 2968000) is (3-chloro-5-ethoxy-4-propoxyphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-chloro-5-ethoxy-4-propoxyphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-chloro-5-ethoxy-4-propoxyphenyl)-morpholin-4-ylmethanone is CCCOc1c(Cl)cc(C(=O)N2CCOCC2)cc1OCC.
What is the InChIKey of (3-chloro-5-ethoxy-4-propoxyphenyl)-morpholin-4-ylmethanone?
The InChIKey is YZBIOGABBLBBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO4/c1-3-7-22-15-13(17)10-12(11-14(15)21-4-2)16(19)18-5-8-20-9-6-18/h10-11H,3-9H2,1-2H3.
What are the key properties of (3-chloro-5-ethoxy-4-propoxyphenyl)-morpholin-4-ylmethanone?
(3-chloro-5-ethoxy-4-propoxyphenyl)-morpholin-4-ylmethanone has a molecular weight of 327.81 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-ethoxy-4-propoxyphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 2968000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).