ethyl 2-ethoxy-3-[4-[2-hydroxy-2-(3-methylphenyl)ethoxy]phenyl]propanoate

C22H28O5 — CID 118902202

IUPACethyl 2-ethoxy-3-[4-[2-hydroxy-2-(3-methylphenyl)ethoxy]phenyl]propanoate
SMILESCCOC(=O)C(Cc1ccc(OCC(O)c2cccc(C)c2)cc1)OCC
InChIInChI=1S/C22H28O5/c1-4-25-21(22(24)26-5-2)14-17-9-11-19(12-10-17)27-15-20(23)18-8-6-7-16(3)13-18/h6-13,20-21,23H,4-5,14-15H2,1-3H3
InChIKeyUXUPAHJPSWELAZ-UHFFFAOYSA-N
MW372.46 g/mol
LogP3.62
Rot. Bonds10

About ethyl 2-ethoxy-3-[4-[2-hydroxy-2-(3-methylphenyl)ethoxy]phenyl]propanoate

ethyl 2-ethoxy-3-[4-[2-hydroxy-2-(3-methylphenyl)ethoxy]phenyl]propanoate (PubChem CID 118902202) has the molecular formula C22H28O5 and a molecular weight of 372.46 g/mol. Its IUPAC name is ethyl 2-ethoxy-3-[4-[2-hydroxy-2-(3-methylphenyl)ethoxy]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-ethoxy-3-[4-[2-hydroxy-2-(3-methylphenyl)ethoxy]phenyl]propanoate
PubChem CID118902202
Molecular FormulaC22H28O5
Molecular Weight372.46 g/mol
Exact Mass372.19
IUPAC Nameethyl 2-ethoxy-3-[4-[2-hydroxy-2-(3-methylphenyl)ethoxy]phenyl]propanoate
SMILESCCOC(=O)C(Cc1ccc(OCC(O)c2cccc(C)c2)cc1)OCC
InChIInChI=1S/C22H28O5/c1-4-25-21(22(24)26-5-2)14-17-9-11-19(12-10-17)27-15-20(23)18-8-6-7-16(3)13-18/h6-13,20-21,23H,4-5,14-15H2,1-3H3
InChIKeyUXUPAHJPSWELAZ-UHFFFAOYSA-N
XLogP3.62
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methylphenyl)ethoxy]phenyl]propanoic acid;ethyl (2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methylphenyl)ethoxy]phenyl]propanoate
CID 161481427
(2R)-2-ethoxy-N-hydroxy-3-[4-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]propanamide
CID 90468822
(2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]-N-methoxy-N-methylpropanamide
CID 90468978
ethyl 2-ethoxy-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethoxy]phenyl]propanoate
CID 78023498
ethyl (2R)-2-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl (2R)-2-ethoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 159032947
ethyl 2-ethoxy-3-[4-(2-pyrrol-1-ylethoxy)phenyl]propanoate
CID 160733152
ethyl (2S)-3-[4-[5-[3-[5-[4-[(2S)-2,3-diethoxy-3-oxopropyl]phenoxy]-3-methylpent-3-en-1-ynyl]phenyl]-3-methylpent-2-en-4-ynoxy]phenyl]-2-ethoxypropanoate
CID 90692017
ethyl (2S)-2-ethoxy-3-[4-[2-(4-hydroxyphenyl)ethoxy]phenyl]propanoate
CID 71012940
propyl 2-ethoxy-3-(4-methylphenyl)propanoate
CID 142845050
ethyl (2S)-2-ethoxy-3-[4-(2-methylsulfonyloxyethoxy)phenyl]propanoate
CID 162640114
ethyl 2-ethoxy-3-[4-[(4-pyrimidin-2-ylphenyl)methoxy]phenyl]propanoate
CID 142687427
ethyl (2S)-2-ethoxy-3-[4-[[4-(hydroxymethyl)-2-pyridinyl]methoxy]phenyl]propanoate
CID 121370835

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-3-[4-[2-hydroxy-2-(3-methylphenyl)ethoxy]phenyl]propanoate?
The IUPAC name of ethyl 2-ethoxy-3-[4-[2-hydroxy-2-(3-methylphenyl)ethoxy]phenyl]propanoate (CID 118902202) is ethyl 2-ethoxy-3-[4-[2-hydroxy-2-(3-methylphenyl)ethoxy]phenyl]propanoate.
What is the SMILES notation for ethyl 2-ethoxy-3-[4-[2-hydroxy-2-(3-methylphenyl)ethoxy]phenyl]propanoate?
The canonical SMILES for ethyl 2-ethoxy-3-[4-[2-hydroxy-2-(3-methylphenyl)ethoxy]phenyl]propanoate is CCOC(=O)C(Cc1ccc(OCC(O)c2cccc(C)c2)cc1)OCC.
What is the InChIKey of ethyl 2-ethoxy-3-[4-[2-hydroxy-2-(3-methylphenyl)ethoxy]phenyl]propanoate?
The InChIKey is UXUPAHJPSWELAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O5/c1-4-25-21(22(24)26-5-2)14-17-9-11-19(12-10-17)27-15-20(23)18-8-6-7-16(3)13-18/h6-13,20-21,23H,4-5,14-15H2,1-3H3.
What are the key properties of ethyl 2-ethoxy-3-[4-[2-hydroxy-2-(3-methylphenyl)ethoxy]phenyl]propanoate?
ethyl 2-ethoxy-3-[4-[2-hydroxy-2-(3-methylphenyl)ethoxy]phenyl]propanoate has a molecular weight of 372.46 g/mol, XLogP of 3.62, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-3-[4-[2-hydroxy-2-(3-methylphenyl)ethoxy]phenyl]propanoate is sourced from PubChem (CID 118902202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).