2-ethyl-4-(5-ethyl-2-methoxyphenyl)-4-oxobutanoic acid

C15H20O4 — CID 70453795

IUPAC2-ethyl-4-(5-ethyl-2-methoxyphenyl)-4-oxobutanoic acid
SMILESCCc1ccc(OC)c(C(=O)CC(CC)C(=O)O)c1
InChIInChI=1S/C15H20O4/c1-4-10-6-7-14(19-3)12(8-10)13(16)9-11(5-2)15(17)18/h6-8,11H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyLDVVXYTZEKUHSR-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.94
Rot. Bonds7

About 2-ethyl-4-(5-ethyl-2-methoxyphenyl)-4-oxobutanoic acid

2-ethyl-4-(5-ethyl-2-methoxyphenyl)-4-oxobutanoic acid (PubChem CID 70453795) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-ethyl-4-(5-ethyl-2-methoxyphenyl)-4-oxobutanoic acid.

Molecular Properties

Compound Name2-ethyl-4-(5-ethyl-2-methoxyphenyl)-4-oxobutanoic acid
PubChem CID70453795
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-ethyl-4-(5-ethyl-2-methoxyphenyl)-4-oxobutanoic acid
SMILESCCc1ccc(OC)c(C(=O)CC(CC)C(=O)O)c1
InChIInChI=1S/C15H20O4/c1-4-10-6-7-14(19-3)12(8-10)13(16)9-11(5-2)15(17)18/h6-8,11H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyLDVVXYTZEKUHSR-UHFFFAOYSA-N
XLogP2.94
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-methoxybenzoic acid
CID 20721149
propan-2-yl 5-ethyl-2-methoxybenzoate
CID 82551716
5-ethyl-2-methoxy-N-propan-2-ylbenzamide
CID 110761959
2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one
CID 82267769
1-(5-ethyl-2-methoxyphenyl)-2-(methylamino)butan-1-one
CID 112512244
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 115795319
methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate
CID 78781017
ethyl 2-[[3-(3-ethoxy-3-oxopropanoyl)-4-methoxyphenyl]methyl]butanoate
CID 11727819
(2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid
CID 107663541
4-ethyl-2-methoxybenzoic acid
CID 18687349
2-[[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]methyl]butanoic acid
CID 20777225
2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoic acid
CID 21120243

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(5-ethyl-2-methoxyphenyl)-4-oxobutanoic acid?
The IUPAC name of 2-ethyl-4-(5-ethyl-2-methoxyphenyl)-4-oxobutanoic acid (CID 70453795) is 2-ethyl-4-(5-ethyl-2-methoxyphenyl)-4-oxobutanoic acid.
What is the SMILES notation for 2-ethyl-4-(5-ethyl-2-methoxyphenyl)-4-oxobutanoic acid?
The canonical SMILES for 2-ethyl-4-(5-ethyl-2-methoxyphenyl)-4-oxobutanoic acid is CCc1ccc(OC)c(C(=O)CC(CC)C(=O)O)c1.
What is the InChIKey of 2-ethyl-4-(5-ethyl-2-methoxyphenyl)-4-oxobutanoic acid?
The InChIKey is LDVVXYTZEKUHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-4-10-6-7-14(19-3)12(8-10)13(16)9-11(5-2)15(17)18/h6-8,11H,4-5,9H2,1-3H3,(H,17,18).
What are the key properties of 2-ethyl-4-(5-ethyl-2-methoxyphenyl)-4-oxobutanoic acid?
2-ethyl-4-(5-ethyl-2-methoxyphenyl)-4-oxobutanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(5-ethyl-2-methoxyphenyl)-4-oxobutanoic acid is sourced from PubChem (CID 70453795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).