2-(2-hydroxyphenoxy)-1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]ethanone

C20H23NO5 — CID 56864991

IUPAC2-(2-hydroxyphenoxy)-1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]ethanone
SMILESCOc1cccc(CC2CN(C(=O)COc3ccccc3O)CCO2)c1
InChIInChI=1S/C20H23NO5/c1-24-16-6-4-5-15(11-16)12-17-13-21(9-10-25-17)20(23)14-26-19-8-3-2-7-18(19)22/h2-8,11,17,22H,9-10,12-14H2,1H3
InChIKeyPQMLWBXFMLKEAC-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.25
Rot. Bonds6

About 2-(2-hydroxyphenoxy)-1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]ethanone

2-(2-hydroxyphenoxy)-1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]ethanone (PubChem CID 56864991) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(2-hydroxyphenoxy)-1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-hydroxyphenoxy)-1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]ethanone
PubChem CID56864991
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name2-(2-hydroxyphenoxy)-1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]ethanone
SMILESCOc1cccc(CC2CN(C(=O)COc3ccccc3O)CCO2)c1
InChIInChI=1S/C20H23NO5/c1-24-16-6-4-5-15(11-16)12-17-13-21(9-10-25-17)20(23)14-26-19-8-3-2-7-18(19)22/h2-8,11,17,22H,9-10,12-14H2,1H3
InChIKeyPQMLWBXFMLKEAC-UHFFFAOYSA-N
XLogP2.25
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-2-methylsulfanylethanone
CID 45248287
3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
CID 42189451
(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356
[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 124999842
(3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 42344181
[2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 25283547
1-[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 45197469
1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone
CID 124952778
ethyl 3-[[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]amino]propanoate
CID 45226652
[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 25457567
1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone
CID 95445095
2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid
CID 102604207

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenoxy)-1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(2-hydroxyphenoxy)-1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]ethanone (CID 56864991) is 2-(2-hydroxyphenoxy)-1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2-hydroxyphenoxy)-1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(2-hydroxyphenoxy)-1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]ethanone is COc1cccc(CC2CN(C(=O)COc3ccccc3O)CCO2)c1.
What is the InChIKey of 2-(2-hydroxyphenoxy)-1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]ethanone?
The InChIKey is PQMLWBXFMLKEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-24-16-6-4-5-15(11-16)12-17-13-21(9-10-25-17)20(23)14-26-19-8-3-2-7-18(19)22/h2-8,11,17,22H,9-10,12-14H2,1H3.
What are the key properties of 2-(2-hydroxyphenoxy)-1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]ethanone?
2-(2-hydroxyphenoxy)-1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]ethanone has a molecular weight of 357.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenoxy)-1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 56864991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).