2-(3-chlorophenoxy)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone

C17H22ClNO4 — CID 129486902

IUPAC2-(3-chlorophenoxy)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone
SMILESO=C(COc1cccc(Cl)c1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O
InChIInChI=1S/C17H22ClNO4/c18-12-3-1-4-13(9-12)23-11-17(21)19-7-8-22-10-15(19)14-5-2-6-16(14)20/h1,3-4,9,14-16,20H,2,5-8,10-11H2/t14-,15-,16-/m1/s1
InChIKeyRPZMJPHAFQPVMK-BZUAXINKSA-N
MW339.82 g/mol
LogP2.11
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone

2-(3-chlorophenoxy)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone (PubChem CID 129486902) has the molecular formula C17H22ClNO4 and a molecular weight of 339.82 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone
PubChem CID129486902
Molecular FormulaC17H22ClNO4
Molecular Weight339.82 g/mol
Exact Mass339.12
IUPAC Name2-(3-chlorophenoxy)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone
SMILESO=C(COc1cccc(Cl)c1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O
InChIInChI=1S/C17H22ClNO4/c18-12-3-1-4-13(9-12)23-11-17(21)19-7-8-22-10-15(19)14-5-2-6-16(14)20/h1,3-4,9,14-16,20H,2,5-8,10-11H2/t14-,15-,16-/m1/s1
InChIKeyRPZMJPHAFQPVMK-BZUAXINKSA-N
XLogP2.11
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-chlorophenoxy)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone with MolForge

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Related Compounds

1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-pyridin-3-yloxyethanone
CID 154737297
2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 128987967
[3-(2-hydroxycyclopentyl)morpholin-4-yl]-(3-propoxyphenyl)methanone
CID 128987935
2-(3-fluorophenoxy)-1-[(2R)-2-[(3R,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]ethanone
CID 129346265
1-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 129345663
1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(4-methoxyphenyl)ethanone
CID 129486962
(2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78921941
[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
CID 129486765
2-(3-chlorophenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43421400
1-[2-(bromomethyl)pyrrolidin-1-yl]-2-(3-chlorophenoxy)ethanone
CID 80678728
3-(3,5-dimethylphenyl)-1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]propan-1-one
CID 128987941
3-(4-ethylphenyl)-1-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]propan-1-one
CID 129486670

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(3-chlorophenoxy)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone (CID 129486902) is 2-(3-chlorophenoxy)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenoxy)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone is O=C(COc1cccc(Cl)c1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O.
What is the InChIKey of 2-(3-chlorophenoxy)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone?
The InChIKey is RPZMJPHAFQPVMK-BZUAXINKSA-N. The full InChI is InChI=1S/C17H22ClNO4/c18-12-3-1-4-13(9-12)23-11-17(21)19-7-8-22-10-15(19)14-5-2-6-16(14)20/h1,3-4,9,14-16,20H,2,5-8,10-11H2/t14-,15-,16-/m1/s1.
What are the key properties of 2-(3-chlorophenoxy)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone?
2-(3-chlorophenoxy)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone has a molecular weight of 339.82 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 129486902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).