2-[(4-chlorophenoxy)methyl]-6-ethoxymorpholine

C13H18ClNO3 — CID 117068766

IUPAC2-[(4-chlorophenoxy)methyl]-6-ethoxymorpholine
SMILESCCOC1CNCC(COc2ccc(Cl)cc2)O1
InChIInChI=1S/C13H18ClNO3/c1-2-16-13-8-15-7-12(18-13)9-17-11-5-3-10(14)4-6-11/h3-6,12-13,15H,2,7-9H2,1H3
InChIKeyBCYUKIPVWXKLAG-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.07
Rot. Bonds5

About 2-[(4-chlorophenoxy)methyl]-6-ethoxymorpholine

2-[(4-chlorophenoxy)methyl]-6-ethoxymorpholine (PubChem CID 117068766) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-6-ethoxymorpholine.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-6-ethoxymorpholine
PubChem CID117068766
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name2-[(4-chlorophenoxy)methyl]-6-ethoxymorpholine
SMILESCCOC1CNCC(COc2ccc(Cl)cc2)O1
InChIInChI=1S/C13H18ClNO3/c1-2-16-13-8-15-7-12(18-13)9-17-11-5-3-10(14)4-6-11/h3-6,12-13,15H,2,7-9H2,1H3
InChIKeyBCYUKIPVWXKLAG-UHFFFAOYSA-N
XLogP2.07
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-6-ethoxymorpholine?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-6-ethoxymorpholine (CID 117068766) is 2-[(4-chlorophenoxy)methyl]-6-ethoxymorpholine.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-6-ethoxymorpholine?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-6-ethoxymorpholine is CCOC1CNCC(COc2ccc(Cl)cc2)O1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-6-ethoxymorpholine?
The InChIKey is BCYUKIPVWXKLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-2-16-13-8-15-7-12(18-13)9-17-11-5-3-10(14)4-6-11/h3-6,12-13,15H,2,7-9H2,1H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-6-ethoxymorpholine?
2-[(4-chlorophenoxy)methyl]-6-ethoxymorpholine has a molecular weight of 271.74 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-6-ethoxymorpholine is sourced from PubChem (CID 117068766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).