1-(3,4-dichlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone

C14H17Cl2NO3 — CID 102933524

IUPAC1-(3,4-dichlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
SMILESCC1CN(CC(=O)c2ccc(Cl)c(Cl)c2)CC(CO)O1
InChIInChI=1S/C14H17Cl2NO3/c1-9-5-17(6-11(8-18)20-9)7-14(19)10-2-3-12(15)13(16)4-10/h2-4,9,11,18H,5-8H2,1H3
InChIKeyCRCXIVSOOINJHK-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.26
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone

1-(3,4-dichlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone (PubChem CID 102933524) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
PubChem CID102933524
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name1-(3,4-dichlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
SMILESCC1CN(CC(=O)c2ccc(Cl)c(Cl)c2)CC(CO)O1
InChIInChI=1S/C14H17Cl2NO3/c1-9-5-17(6-11(8-18)20-9)7-14(19)10-2-3-12(15)13(16)4-10/h2-4,9,11,18H,5-8H2,1H3
InChIKeyCRCXIVSOOINJHK-UHFFFAOYSA-N
XLogP2.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone (CID 102933524) is 1-(3,4-dichlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone is CC1CN(CC(=O)c2ccc(Cl)c(Cl)c2)CC(CO)O1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
The InChIKey is CRCXIVSOOINJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-9-5-17(6-11(8-18)20-9)7-14(19)10-2-3-12(15)13(16)4-10/h2-4,9,11,18H,5-8H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
1-(3,4-dichlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone has a molecular weight of 318.20 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 102933524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).