methyl 2-[4-[(2S)-2-morpholin-4-ylpropoxy]phenyl]acetate

C16H23NO4 — CID 169157685

IUPACmethyl 2-[4-[(2S)-2-morpholin-4-ylpropoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OC[C@H](C)N2CCOCC2)cc1
InChIInChI=1S/C16H23NO4/c1-13(17-7-9-20-10-8-17)12-21-15-5-3-14(4-6-15)11-16(18)19-2/h3-6,13H,7-12H2,1-2H3/t13-/m0/s1
InChIKeyWQYLLENWEVTWPN-ZDUSSCGKSA-N
MW293.36 g/mol
LogP1.50
Rot. Bonds6

About methyl 2-[4-[(2S)-2-morpholin-4-ylpropoxy]phenyl]acetate

methyl 2-[4-[(2S)-2-morpholin-4-ylpropoxy]phenyl]acetate (PubChem CID 169157685) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 2-[4-[(2S)-2-morpholin-4-ylpropoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2S)-2-morpholin-4-ylpropoxy]phenyl]acetate
PubChem CID169157685
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 2-[4-[(2S)-2-morpholin-4-ylpropoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OC[C@H](C)N2CCOCC2)cc1
InChIInChI=1S/C16H23NO4/c1-13(17-7-9-20-10-8-17)12-21-15-5-3-14(4-6-15)11-16(18)19-2/h3-6,13H,7-12H2,1-2H3/t13-/m0/s1
InChIKeyWQYLLENWEVTWPN-ZDUSSCGKSA-N
XLogP1.50
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-morpholin-4-ylpropyl)-2-(4-phenylmethoxyphenoxy)acetamide
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2-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]acetamide
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methyl 2-[4-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethoxy]phenyl]acetate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2S)-2-morpholin-4-ylpropoxy]phenyl]acetate?
The IUPAC name of methyl 2-[4-[(2S)-2-morpholin-4-ylpropoxy]phenyl]acetate (CID 169157685) is methyl 2-[4-[(2S)-2-morpholin-4-ylpropoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[(2S)-2-morpholin-4-ylpropoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[(2S)-2-morpholin-4-ylpropoxy]phenyl]acetate is COC(=O)Cc1ccc(OC[C@H](C)N2CCOCC2)cc1.
What is the InChIKey of methyl 2-[4-[(2S)-2-morpholin-4-ylpropoxy]phenyl]acetate?
The InChIKey is WQYLLENWEVTWPN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23NO4/c1-13(17-7-9-20-10-8-17)12-21-15-5-3-14(4-6-15)11-16(18)19-2/h3-6,13H,7-12H2,1-2H3/t13-/m0/s1.
What are the key properties of methyl 2-[4-[(2S)-2-morpholin-4-ylpropoxy]phenyl]acetate?
methyl 2-[4-[(2S)-2-morpholin-4-ylpropoxy]phenyl]acetate has a molecular weight of 293.36 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2S)-2-morpholin-4-ylpropoxy]phenyl]acetate is sourced from PubChem (CID 169157685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).