3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid

C14H18O5 — CID 79624513

IUPAC3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid
SMILESCCOc1cccc(C=O)c1OCC(C)(C)C(=O)O
InChIInChI=1S/C14H18O5/c1-4-18-11-7-5-6-10(8-15)12(11)19-9-14(2,3)13(16)17/h5-8H,4,9H2,1-3H3,(H,16,17)
InChIKeyUHNMUFKPYINXAU-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.39
Rot. Bonds7

About 3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid

3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid (PubChem CID 79624513) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid
PubChem CID79624513
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid
SMILESCCOc1cccc(C=O)c1OCC(C)(C)C(=O)O
InChIInChI=1S/C14H18O5/c1-4-18-11-7-5-6-10(8-15)12(11)19-9-14(2,3)13(16)17/h5-8H,4,9H2,1-3H3,(H,16,17)
InChIKeyUHNMUFKPYINXAU-UHFFFAOYSA-N
XLogP2.39
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-carboxy-2-methylpropoxy)-3-ethoxybenzoic acid
CID 79624013
3-(2-ethoxy-6-formylphenoxy)propanoic acid
CID 63950736
3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid
CID 20985587
3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79629790
3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde
CID 43174565
2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde
CID 43366496
3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde
CID 66044765
3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde
CID 65175736
3-ethoxy-2-(3-phenylpropoxy)benzaldehyde
CID 43366508
4-(2-ethoxy-6-formylphenoxy)butanenitrile
CID 43366511
3-ethoxy-2-[3-(2,2,2-trifluoroethoxy)propoxy]benzaldehyde
CID 61491424
2-[(E)-3-chloroprop-2-enoxy]-3-ethoxybenzaldehyde
CID 43366499

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid (CID 79624513) is 3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid is CCOc1cccc(C=O)c1OCC(C)(C)C(=O)O.
What is the InChIKey of 3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid?
The InChIKey is UHNMUFKPYINXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-4-18-11-7-5-6-10(8-15)12(11)19-9-14(2,3)13(16)17/h5-8H,4,9H2,1-3H3,(H,16,17).
What are the key properties of 3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid?
3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid has a molecular weight of 266.29 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79624513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).