2-(2-ethoxyphenyl)butanedioic acid

C12H14O5 — CID 112508431

IUPAC2-(2-ethoxyphenyl)butanedioic acid
SMILESCCOc1ccccc1C(CC(=O)O)C(=O)O
InChIInChI=1S/C12H14O5/c1-2-17-10-6-4-3-5-8(10)9(12(15)16)7-11(13)14/h3-6,9H,2,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyVEMGSXHLJNEGSG-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.73
Rot. Bonds6

About 2-(2-ethoxyphenyl)butanedioic acid

2-(2-ethoxyphenyl)butanedioic acid (PubChem CID 112508431) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)butanedioic acid.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)butanedioic acid
PubChem CID112508431
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name2-(2-ethoxyphenyl)butanedioic acid
SMILESCCOc1ccccc1C(CC(=O)O)C(=O)O
InChIInChI=1S/C12H14O5/c1-2-17-10-6-4-3-5-8(10)9(12(15)16)7-11(13)14/h3-6,9H,2,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyVEMGSXHLJNEGSG-UHFFFAOYSA-N
XLogP1.73
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-(2-ethoxyphenyl)pentanoic acid
CID 66098544
2-(2-ethoxyphenyl)octanoic acid
CID 174447209
2-(3,4-diethoxyphenyl)butanedioic acid
CID 4917876
3-(2-ethoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid
CID 64527940
2-[(2-ethoxyphenyl)-hydroxymethyl]butanoic acid
CID 62397820
3-(2-ethoxyphenyl)-2-fluorobutanoic acid
CID 81358272
2-(2-carboxyphenyl)butanedioic acid
CID 121217336
2-(2-fluorophenyl)butanedioic acid
CID 50990542
2-(2-ethoxyphenyl)-2-(2-hydroxyethoxy)acetic acid
CID 83224823
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244346
3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82094741

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)butanedioic acid?
The IUPAC name of 2-(2-ethoxyphenyl)butanedioic acid (CID 112508431) is 2-(2-ethoxyphenyl)butanedioic acid.
What is the SMILES notation for 2-(2-ethoxyphenyl)butanedioic acid?
The canonical SMILES for 2-(2-ethoxyphenyl)butanedioic acid is CCOc1ccccc1C(CC(=O)O)C(=O)O.
What is the InChIKey of 2-(2-ethoxyphenyl)butanedioic acid?
The InChIKey is VEMGSXHLJNEGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-2-17-10-6-4-3-5-8(10)9(12(15)16)7-11(13)14/h3-6,9H,2,7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(2-ethoxyphenyl)butanedioic acid?
2-(2-ethoxyphenyl)butanedioic acid has a molecular weight of 238.24 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)butanedioic acid is sourced from PubChem (CID 112508431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).