4-(4-ethoxy-3-methoxyphenyl)butanoic acid

C13H18O4 — CID 82265678

IUPAC4-(4-ethoxy-3-methoxyphenyl)butanoic acid
SMILESCCOc1ccc(CCCC(=O)O)cc1OC
InChIInChI=1S/C13H18O4/c1-3-17-11-8-7-10(9-12(11)16-2)5-4-6-13(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)
InChIKeyUOKSTCRDYLSADF-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.50
Rot. Bonds7

About 4-(4-ethoxy-3-methoxyphenyl)butanoic acid

4-(4-ethoxy-3-methoxyphenyl)butanoic acid (PubChem CID 82265678) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 4-(4-ethoxy-3-methoxyphenyl)butanoic acid.

Molecular Properties

Compound Name4-(4-ethoxy-3-methoxyphenyl)butanoic acid
PubChem CID82265678
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name4-(4-ethoxy-3-methoxyphenyl)butanoic acid
SMILESCCOc1ccc(CCCC(=O)O)cc1OC
InChIInChI=1S/C13H18O4/c1-3-17-11-8-7-10(9-12(11)16-2)5-4-6-13(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)
InChIKeyUOKSTCRDYLSADF-UHFFFAOYSA-N
XLogP2.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid
CID 117484134
6-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]hexanoic acid
CID 108891543
6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 95447270
4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid
CID 10060027
4-(4-chloro-3-methoxyphenyl)butanoic acid
CID 83710715
3-[4-(carboxymethoxy)-3-methoxyphenyl]propanoic acid
CID 121016138
4-(3,4-dihexadecoxyphenyl)butanoic acid
CID 70560889
2-(4-heptyl-2-methoxyphenoxy)acetic acid
CID 154352108
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
4-(3-tert-butyl-4-methoxyphenyl)butanoic acid
CID 57172546
3-[3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]propanoic acid
CID 22680504

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-3-methoxyphenyl)butanoic acid?
The IUPAC name of 4-(4-ethoxy-3-methoxyphenyl)butanoic acid (CID 82265678) is 4-(4-ethoxy-3-methoxyphenyl)butanoic acid.
What is the SMILES notation for 4-(4-ethoxy-3-methoxyphenyl)butanoic acid?
The canonical SMILES for 4-(4-ethoxy-3-methoxyphenyl)butanoic acid is CCOc1ccc(CCCC(=O)O)cc1OC.
What is the InChIKey of 4-(4-ethoxy-3-methoxyphenyl)butanoic acid?
The InChIKey is UOKSTCRDYLSADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-3-17-11-8-7-10(9-12(11)16-2)5-4-6-13(14)15/h7-9H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 4-(4-ethoxy-3-methoxyphenyl)butanoic acid?
4-(4-ethoxy-3-methoxyphenyl)butanoic acid has a molecular weight of 238.28 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-3-methoxyphenyl)butanoic acid is sourced from PubChem (CID 82265678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).