2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl methyl carbonate;hydrochloride

C14H19Cl2NO4 — CID 3075548

IUPAC2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl methyl carbonate;hydrochloride
SMILESCOC(=O)OCCN1CCOC(c2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C14H18ClNO4.ClH/c1-18-14(17)20-9-7-16-6-8-19-13(10-16)11-2-4-12(15)5-3-11;/h2-5,13H,6-10H2,1H3;1H
InChIKeyHULVUTLGHCYZMU-UHFFFAOYSA-N
MW336.22 g/mol
LogP2.92
Rot. Bonds4

About 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl methyl carbonate;hydrochloride

2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl methyl carbonate;hydrochloride (PubChem CID 3075548) has the molecular formula C14H19Cl2NO4 and a molecular weight of 336.22 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl methyl carbonate;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl methyl carbonate;hydrochloride
PubChem CID3075548
Molecular FormulaC14H19Cl2NO4
Molecular Weight336.22 g/mol
Exact Mass335.07
IUPAC Name2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl methyl carbonate;hydrochloride
SMILESCOC(=O)OCCN1CCOC(c2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C14H18ClNO4.ClH/c1-18-14(17)20-9-7-16-6-8-19-13(10-16)11-2-4-12(15)5-3-11;/h2-5,13H,6-10H2,1H3;1H
InChIKeyHULVUTLGHCYZMU-UHFFFAOYSA-N
XLogP2.92
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl methyl carbonate;hydrochloride?
The IUPAC name of 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl methyl carbonate;hydrochloride (CID 3075548) is 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl methyl carbonate;hydrochloride.
What is the SMILES notation for 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl methyl carbonate;hydrochloride?
The canonical SMILES for 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl methyl carbonate;hydrochloride is COC(=O)OCCN1CCOC(c2ccc(Cl)cc2)C1.Cl.
What is the InChIKey of 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl methyl carbonate;hydrochloride?
The InChIKey is HULVUTLGHCYZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4.ClH/c1-18-14(17)20-9-7-16-6-8-19-13(10-16)11-2-4-12(15)5-3-11;/h2-5,13H,6-10H2,1H3;1H.
What are the key properties of 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl methyl carbonate;hydrochloride?
2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl methyl carbonate;hydrochloride has a molecular weight of 336.22 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl methyl carbonate;hydrochloride is sourced from PubChem (CID 3075548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).