ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate

C14H20O3 — CID 58566699

IUPACethyl 3-(3-ethyl-4-methoxyphenyl)propanoate
SMILESCCOC(=O)CCc1ccc(OC)c(CC)c1
InChIInChI=1S/C14H20O3/c1-4-12-10-11(6-8-13(12)16-3)7-9-14(15)17-5-2/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyQPJAQIPJBSVUAX-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.75
Rot. Bonds6

About ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate

ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate (PubChem CID 58566699) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-ethyl-4-methoxyphenyl)propanoate
PubChem CID58566699
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nameethyl 3-(3-ethyl-4-methoxyphenyl)propanoate
SMILESCCOC(=O)CCc1ccc(OC)c(CC)c1
InChIInChI=1S/C14H20O3/c1-4-12-10-11(6-8-13(12)16-3)7-9-14(15)17-5-2/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyQPJAQIPJBSVUAX-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

ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928
ethyl 5-(3,4-dimethoxyphenyl)pentanoate
CID 15833333
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
ethyl 3-(3-ethyl-4-methoxyphenyl)-2-methylpropanoate
CID 58566780
ethyl 3-(2,4,5-trimethoxyphenyl)propanoate
CID 66702332
ethyl 3-[4-[5-(3-hydroxypropyl)-2-methoxyphenoxy]phenyl]propanoate
CID 71497129
ethyl 3-[4-bromo-3-(chloromethyl)phenyl]propanoate
CID 131612411
ethyl 3-[4-(3-amino-2-hydroxy-4-methylpentoxy)-3-methoxyphenyl]propanoate
CID 70493477
ethyl 3-[4-amino-3-[2-(2-methoxyphenyl)ethynyl]phenyl]propanoate
CID 142738568
ethyl 2-(bromomethyl)-4-(3-ethoxy-3-oxopropyl)benzoate
CID 134649746
ethyl 3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanoate
CID 134632480
3-amino-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-2-hydroxypropanamide
CID 115180756

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate?
The IUPAC name of ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate (CID 58566699) is ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate is CCOC(=O)CCc1ccc(OC)c(CC)c1.
What is the InChIKey of ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate?
The InChIKey is QPJAQIPJBSVUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-12-10-11(6-8-13(12)16-3)7-9-14(15)17-5-2/h6,8,10H,4-5,7,9H2,1-3H3.
What are the key properties of ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate?
ethyl 3-(3-ethyl-4-methoxyphenyl)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 ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate is sourced from PubChem (CID 58566699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).