ethyl 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate

C16H23NO5 — CID 17393188

IUPACethyl 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate
SMILESCCOC(=O)c1cccc(OCC(O)CN2CCOCC2)c1
InChIInChI=1S/C16H23NO5/c1-2-21-16(19)13-4-3-5-15(10-13)22-12-14(18)11-17-6-8-20-9-7-17/h3-5,10,14,18H,2,6-9,11-12H2,1H3
InChIKeyJMQNWYFHPWBBJG-UHFFFAOYSA-N
MW309.36 g/mol
LogP0.94
Rot. Bonds7

About ethyl 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate

ethyl 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate (PubChem CID 17393188) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is ethyl 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate.

Molecular Properties

Compound Nameethyl 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate
PubChem CID17393188
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Nameethyl 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate
SMILESCCOC(=O)c1cccc(OCC(O)CN2CCOCC2)c1
InChIInChI=1S/C16H23NO5/c1-2-21-16(19)13-4-3-5-15(10-13)22-12-14(18)11-17-6-8-20-9-7-17/h3-5,10,14,18H,2,6-9,11-12H2,1H3
InChIKeyJMQNWYFHPWBBJG-UHFFFAOYSA-N
XLogP0.94
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]benzoate
CID 86977623
ethyl 3-[2-hydroxy-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propoxy]benzoate
CID 87014382
ethyl 3-[2-hydroxy-3-(3-methylpyrrolidin-1-yl)propoxy]benzoate
CID 86880419
1-(3-methoxyphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 2770236
ethyl 3-[(2S)-3-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-2-hydroxypropoxy]benzoate
CID 35825267
1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol
CID 110877512
1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 43253326
1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one
CID 977024
(2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 692870
methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate
CID 754353
ethyl 4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]benzoate
CID 46664174
ethyl 3-[3-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate
CID 42942558

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate?
The IUPAC name of ethyl 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate (CID 17393188) is ethyl 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate.
What is the SMILES notation for ethyl 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate?
The canonical SMILES for ethyl 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate is CCOC(=O)c1cccc(OCC(O)CN2CCOCC2)c1.
What is the InChIKey of ethyl 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate?
The InChIKey is JMQNWYFHPWBBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-2-21-16(19)13-4-3-5-15(10-13)22-12-14(18)11-17-6-8-20-9-7-17/h3-5,10,14,18H,2,6-9,11-12H2,1H3.
What are the key properties of ethyl 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate?
ethyl 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate has a molecular weight of 309.36 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate is sourced from PubChem (CID 17393188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).