2-[2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]ethanol

C13H17Cl2NO3 — CID 102567713

IUPAC2-[2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]ethanol
SMILESOCCN1CCOC(COc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C13H17Cl2NO3/c14-11-2-1-3-12(15)13(11)19-9-10-8-16(4-6-17)5-7-18-10/h1-3,10,17H,4-9H2
InChIKeyDBQPWYUJKZTOQW-UHFFFAOYSA-N
MW306.19 g/mol
LogP2.07
Rot. Bonds5

About 2-[2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]ethanol

2-[2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]ethanol (PubChem CID 102567713) has the molecular formula C13H17Cl2NO3 and a molecular weight of 306.19 g/mol. Its IUPAC name is 2-[2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]ethanol
PubChem CID102567713
Molecular FormulaC13H17Cl2NO3
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC Name2-[2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]ethanol
SMILESOCCN1CCOC(COc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C13H17Cl2NO3/c14-11-2-1-3-12(15)13(11)19-9-10-8-16(4-6-17)5-7-18-10/h1-3,10,17H,4-9H2
InChIKeyDBQPWYUJKZTOQW-UHFFFAOYSA-N
XLogP2.07
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
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-[2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]ethanol?
The IUPAC name of 2-[2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]ethanol (CID 102567713) is 2-[2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]ethanol.
What is the SMILES notation for 2-[2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]ethanol?
The canonical SMILES for 2-[2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]ethanol is OCCN1CCOC(COc2c(Cl)cccc2Cl)C1.
What is the InChIKey of 2-[2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]ethanol?
The InChIKey is DBQPWYUJKZTOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3/c14-11-2-1-3-12(15)13(11)19-9-10-8-16(4-6-17)5-7-18-10/h1-3,10,17H,4-9H2.
What are the key properties of 2-[2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]ethanol?
2-[2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]ethanol has a molecular weight of 306.19 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-[2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]ethanol is sourced from PubChem (CID 102567713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).