methyl 3-(4-ethoxy-2-ethylphenyl)propanoate

C14H20O3 — CID 82552040

IUPACmethyl 3-(4-ethoxy-2-ethylphenyl)propanoate
SMILESCCOc1ccc(CCC(=O)OC)c(CC)c1
InChIInChI=1S/C14H20O3/c1-4-11-10-13(17-5-2)8-6-12(11)7-9-14(15)16-3/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyJCRWHUFHPQGLLG-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.75
Rot. Bonds6

About methyl 3-(4-ethoxy-2-ethylphenyl)propanoate

methyl 3-(4-ethoxy-2-ethylphenyl)propanoate (PubChem CID 82552040) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 3-(4-ethoxy-2-ethylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-ethoxy-2-ethylphenyl)propanoate
PubChem CID82552040
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namemethyl 3-(4-ethoxy-2-ethylphenyl)propanoate
SMILESCCOc1ccc(CCC(=O)OC)c(CC)c1
InChIInChI=1S/C14H20O3/c1-4-11-10-13(17-5-2)8-6-12(11)7-9-14(15)16-3/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyJCRWHUFHPQGLLG-UHFFFAOYSA-N
XLogP2.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate
CID 69115976
methyl 3-(2,4-dipropoxyphenyl)propanoate
CID 82551369
methyl 3-(2-methyl-4-propoxyphenyl)propanoate
CID 82553676
1-(3-bromopropyl)-4-ethoxy-2-ethylbenzene
CID 83941643
3-(4-ethoxy-2-methoxyphenyl)propanoic acid
CID 97034664
3-[2-ethyl-4-(2-methylpropoxy)phenyl]propanoic acid
CID 82551979
methyl 3-[4-(3-hydroxypentoxy)-2-methylphenyl]propanoate
CID 58753810
methyl 3-[4-[(3S)-3-hydroxypentoxy]-2-methylphenyl]propanoate
CID 58753636
4-(4-ethoxy-2-ethylphenyl)butanenitrile
CID 83941707
2-[2-(4-ethoxy-2-ethylphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83941765
methyl 3-(4-chloro-2-fluorophenyl)propanoate
CID 91755213
methyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate
CID 82552006

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-ethoxy-2-ethylphenyl)propanoate?
The IUPAC name of methyl 3-(4-ethoxy-2-ethylphenyl)propanoate (CID 82552040) is methyl 3-(4-ethoxy-2-ethylphenyl)propanoate.
What is the SMILES notation for methyl 3-(4-ethoxy-2-ethylphenyl)propanoate?
The canonical SMILES for methyl 3-(4-ethoxy-2-ethylphenyl)propanoate is CCOc1ccc(CCC(=O)OC)c(CC)c1.
What is the InChIKey of methyl 3-(4-ethoxy-2-ethylphenyl)propanoate?
The InChIKey is JCRWHUFHPQGLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-11-10-13(17-5-2)8-6-12(11)7-9-14(15)16-3/h6,8,10H,4-5,7,9H2,1-3H3.
What are the key properties of methyl 3-(4-ethoxy-2-ethylphenyl)propanoate?
methyl 3-(4-ethoxy-2-ethylphenyl)propanoate has a molecular weight of 236.31 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-ethoxy-2-ethylphenyl)propanoate is sourced from PubChem (CID 82552040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).