1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone

C18H24ClNO3 — CID 111538497

IUPAC1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone
SMILESCC1COC(c2ccccc2Cl)CN1C(=O)CC1(O)CCCC1
InChIInChI=1S/C18H24ClNO3/c1-13-12-23-16(14-6-2-3-7-15(14)19)11-20(13)17(21)10-18(22)8-4-5-9-18/h2-3,6-7,13,16,22H,4-5,8-12H2,1H3
InChIKeyUCJBNNLEFKBJLB-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.32
Rot. Bonds3

About 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone

1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone (PubChem CID 111538497) has the molecular formula C18H24ClNO3 and a molecular weight of 337.85 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone
PubChem CID111538497
Molecular FormulaC18H24ClNO3
Molecular Weight337.85 g/mol
Exact Mass337.14
IUPAC Name1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone
SMILESCC1COC(c2ccccc2Cl)CN1C(=O)CC1(O)CCCC1
InChIInChI=1S/C18H24ClNO3/c1-13-12-23-16(14-6-2-3-7-15(14)19)11-20(13)17(21)10-18(22)8-4-5-9-18/h2-3,6-7,13,16,22H,4-5,8-12H2,1H3
InChIKeyUCJBNNLEFKBJLB-UHFFFAOYSA-N
XLogP3.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone?
The IUPAC name of 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone (CID 111538497) is 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone?
The canonical SMILES for 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone is CC1COC(c2ccccc2Cl)CN1C(=O)CC1(O)CCCC1.
What is the InChIKey of 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone?
The InChIKey is UCJBNNLEFKBJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO3/c1-13-12-23-16(14-6-2-3-7-15(14)19)11-20(13)17(21)10-18(22)8-4-5-9-18/h2-3,6-7,13,16,22H,4-5,8-12H2,1H3.
What are the key properties of 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone?
1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone has a molecular weight of 337.85 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone is sourced from PubChem (CID 111538497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).