methyl 2-[4-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetate

C20H22ClNO4 — CID 56878101

IUPACmethyl 2-[4-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(CN2CCOC(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C20H22ClNO4/c1-24-20(23)14-26-18-8-2-15(3-9-18)12-22-10-11-25-19(13-22)16-4-6-17(21)7-5-16/h2-9,19H,10-14H2,1H3
InChIKeyOGMWHBVDLVRRCM-UHFFFAOYSA-N
MW375.85 g/mol
LogP3.47
Rot. Bonds6

About methyl 2-[4-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetate

methyl 2-[4-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetate (PubChem CID 56878101) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is methyl 2-[4-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetate
PubChem CID56878101
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Namemethyl 2-[4-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(CN2CCOC(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C20H22ClNO4/c1-24-20(23)14-26-18-8-2-15(3-9-18)12-22-10-11-25-19(13-22)16-4-6-17(21)7-5-16/h2-9,19H,10-14H2,1H3
InChIKeyOGMWHBVDLVRRCM-UHFFFAOYSA-N
XLogP3.47
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetate with MolForge

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Related Compounds

2-[4-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetamide
CID 95415223
2-(4-chlorophenoxy)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]acetamide
CID 30851045
(2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352433
(2R)-2-(4-bromophenyl)-4-[(4-methoxyphenyl)methyl]morpholine
CID 67351459
3-[2-[4-[3-(4-chlorophenyl)propoxy]phenyl]morpholin-4-yl]propanoyl chloride
CID 142765989
methyl 1-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-1,2,4-triazole-3-carboxylate
CID 51094789
3-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]benzoic acid
CID 122034855
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone
CID 60552824
2-[4-(4-chlorophenoxy)phenyl]-4-ethylmorpholine
CID 142654768
2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 77271449
methyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate
CID 95558883
methyl 3-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]propanoate
CID 95175743

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetate (CID 56878101) is methyl 2-[4-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetate is COC(=O)COc1ccc(CN2CCOC(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of methyl 2-[4-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetate?
The InChIKey is OGMWHBVDLVRRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-24-20(23)14-26-18-8-2-15(3-9-18)12-22-10-11-25-19(13-22)16-4-6-17(21)7-5-16/h2-9,19H,10-14H2,1H3.
What are the key properties of methyl 2-[4-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetate?
methyl 2-[4-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetate has a molecular weight of 375.85 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetate is sourced from PubChem (CID 56878101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).