3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid

C13H18O3 — CID 82286918

IUPAC3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid
SMILESCCOc1ccccc1CC(C)(C)C(=O)O
InChIInChI=1S/C13H18O3/c1-4-16-11-8-6-5-7-10(11)9-13(2,3)12(14)15/h5-8H,4,9H2,1-3H3,(H,14,15)
InChIKeyWMDYWCVNFNVROQ-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.74
Rot. Bonds5

About 3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid

3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid (PubChem CID 82286918) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid
PubChem CID82286918
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid
SMILESCCOc1ccccc1CC(C)(C)C(=O)O
InChIInChI=1S/C13H18O3/c1-4-16-11-8-6-5-7-10(11)9-13(2,3)12(14)15/h5-8H,4,9H2,1-3H3,(H,14,15)
InChIKeyWMDYWCVNFNVROQ-UHFFFAOYSA-N
XLogP2.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid
CID 20985587
1-(2-ethoxyphenyl)-2-methylpropan-2-ol
CID 91658115
4-[(2-ethoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133691
2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619758
3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79629790
4-[(2-ethoxyphenyl)methylsulfanyl]benzoic acid
CID 43352356
2-(2-ethoxyphenoxy)-2-methylbutanoic acid
CID 114990551
3-(3-ethyl-2-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117345111
3-[(2-ethoxyphenyl)methylsulfanyl]propanoic acid
CID 43091577
1-[1-(2-ethoxyphenyl)-4-methoxy-2-methylbutan-2-yl]-3-ethylurea
CID 173114298
3-[2-(2-fluoropropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117349418
2-tert-butyl-3-[2-(2-ethoxyphenyl)ethyl]benzoic acid
CID 151630765

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid (CID 82286918) is 3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid is CCOc1ccccc1CC(C)(C)C(=O)O.
What is the InChIKey of 3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid?
The InChIKey is WMDYWCVNFNVROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-16-11-8-6-5-7-10(11)9-13(2,3)12(14)15/h5-8H,4,9H2,1-3H3,(H,14,15).
What are the key properties of 3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid?
3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid has a molecular weight of 222.28 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 82286918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).