propyl 2-ethoxy-3-(4-methylphenyl)propanoate

C15H22O3 — CID 142845050

IUPACpropyl 2-ethoxy-3-(4-methylphenyl)propanoate
SMILESCCCOC(=O)C(Cc1ccc(C)cc1)OCC
InChIInChI=1S/C15H22O3/c1-4-10-18-15(16)14(17-5-2)11-13-8-6-12(3)7-9-13/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyBKYJAIDBNFMQHO-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.90
Rot. Bonds7

About propyl 2-ethoxy-3-(4-methylphenyl)propanoate

propyl 2-ethoxy-3-(4-methylphenyl)propanoate (PubChem CID 142845050) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is propyl 2-ethoxy-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Namepropyl 2-ethoxy-3-(4-methylphenyl)propanoate
PubChem CID142845050
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Namepropyl 2-ethoxy-3-(4-methylphenyl)propanoate
SMILESCCCOC(=O)C(Cc1ccc(C)cc1)OCC
InChIInChI=1S/C15H22O3/c1-4-10-18-15(16)14(17-5-2)11-13-8-6-12(3)7-9-13/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyBKYJAIDBNFMQHO-UHFFFAOYSA-N
XLogP2.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-ethoxy-3-[4-[2-(4-hydroxyphenyl)ethoxy]phenyl]propanoate
CID 71012940
ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate
CID 18626029
ethyl (2S)-2-ethoxy-3-[4-(4-formylphenoxy)phenyl]propanoate
CID 176886544
ethyl (2S)-2-ethoxy-3-[4-(2-methylsulfonyloxyethoxy)phenyl]propanoate
CID 162640114
ethyl 2-ethoxy-3-[4-(2-pyrrol-1-ylethoxy)phenyl]propanoate
CID 160733152
ethyl (2R)-3-[4-(dibenzylamino)phenyl]-2-ethoxypropanoate
CID 59639980
ethyl (2S)-2-[(4-methylphenyl)methyl]-3-oxobutanoate
CID 30469853
ethyl 2-ethoxy-3-[4-[(4-pyrimidin-2-ylphenyl)methoxy]phenyl]propanoate
CID 142687427
ethyl (2R)-2-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl (2R)-2-ethoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 159032947
ethyl 3-(3,5-difluoro-4-hydroxyphenyl)-2-ethoxypropanoate
CID 59419836
propan-2-yl 2-ethoxy-3-(4-hydroxyphenyl)propanoate
CID 68679680
ethyl 2-ethoxy-3-[4-[2-hydroxy-2-(3-methylphenyl)ethoxy]phenyl]propanoate
CID 118902202

Frequently Asked Questions

What is the IUPAC name of propyl 2-ethoxy-3-(4-methylphenyl)propanoate?
The IUPAC name of propyl 2-ethoxy-3-(4-methylphenyl)propanoate (CID 142845050) is propyl 2-ethoxy-3-(4-methylphenyl)propanoate.
What is the SMILES notation for propyl 2-ethoxy-3-(4-methylphenyl)propanoate?
The canonical SMILES for propyl 2-ethoxy-3-(4-methylphenyl)propanoate is CCCOC(=O)C(Cc1ccc(C)cc1)OCC.
What is the InChIKey of propyl 2-ethoxy-3-(4-methylphenyl)propanoate?
The InChIKey is BKYJAIDBNFMQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-10-18-15(16)14(17-5-2)11-13-8-6-12(3)7-9-13/h6-9,14H,4-5,10-11H2,1-3H3.
What are the key properties of propyl 2-ethoxy-3-(4-methylphenyl)propanoate?
propyl 2-ethoxy-3-(4-methylphenyl)propanoate has a molecular weight of 250.34 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-ethoxy-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 142845050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).