2-ethoxy-2-(4-ethoxyphenyl)propanoic acid

C13H18O4 — CID 114990539

IUPAC2-ethoxy-2-(4-ethoxyphenyl)propanoic acid
SMILESCCOc1ccc(C(C)(OCC)C(=O)O)cc1
InChIInChI=1S/C13H18O4/c1-4-16-11-8-6-10(7-9-11)13(3,12(14)15)17-5-2/h6-9H,4-5H2,1-3H3,(H,14,15)
InChIKeyFOKVKZXRNCAWGG-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.42
Rot. Bonds6

About 2-ethoxy-2-(4-ethoxyphenyl)propanoic acid

2-ethoxy-2-(4-ethoxyphenyl)propanoic acid (PubChem CID 114990539) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-ethoxy-2-(4-ethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-ethoxy-2-(4-ethoxyphenyl)propanoic acid
PubChem CID114990539
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-ethoxy-2-(4-ethoxyphenyl)propanoic acid
SMILESCCOc1ccc(C(C)(OCC)C(=O)O)cc1
InChIInChI=1S/C13H18O4/c1-4-16-11-8-6-10(7-9-11)13(3,12(14)15)17-5-2/h6-9H,4-5H2,1-3H3,(H,14,15)
InChIKeyFOKVKZXRNCAWGG-UHFFFAOYSA-N
XLogP2.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-2-[4-(2-phenothiazin-10-ylethoxy)phenyl]propanoic acid
CID 142159585
acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol
CID 175113858
2-ethoxy-2-(3-methoxyphenyl)propanoic acid
CID 114987500
2-(4-ethoxyphenyl)propan-2-yl acetate
CID 129179659
[3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate
CID 139891574
3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid
CID 55139482
2-ethoxy-2-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoic acid
CID 70208431
2-(4-ethoxyphenyl)-2-(prop-2-ynylamino)propanoic acid
CID 61340482
2-(4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)propanoic acid
CID 61343282
2-[4-[2-(3-butylfluoren-9-ylidene)ethoxy]phenyl]-2-ethoxypropanoic acid
CID 57266003
3-(4-ethoxyphenyl)-3-(ethylamino)butanoic acid
CID 65233871
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-(4-ethoxyphenyl)propanoic acid?
The IUPAC name of 2-ethoxy-2-(4-ethoxyphenyl)propanoic acid (CID 114990539) is 2-ethoxy-2-(4-ethoxyphenyl)propanoic acid.
What is the SMILES notation for 2-ethoxy-2-(4-ethoxyphenyl)propanoic acid?
The canonical SMILES for 2-ethoxy-2-(4-ethoxyphenyl)propanoic acid is CCOc1ccc(C(C)(OCC)C(=O)O)cc1.
What is the InChIKey of 2-ethoxy-2-(4-ethoxyphenyl)propanoic acid?
The InChIKey is FOKVKZXRNCAWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-4-16-11-8-6-10(7-9-11)13(3,12(14)15)17-5-2/h6-9H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-ethoxy-2-(4-ethoxyphenyl)propanoic acid?
2-ethoxy-2-(4-ethoxyphenyl)propanoic acid has a molecular weight of 238.28 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-(4-ethoxyphenyl)propanoic acid is sourced from PubChem (CID 114990539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).