2-[2-(2-methoxyphenoxy)ethyl]-3,3-dimethylbutanoic acid

C15H22O4 — CID 83136429

IUPAC2-[2-(2-methoxyphenoxy)ethyl]-3,3-dimethylbutanoic acid
SMILESCOc1ccccc1OCCC(C(=O)O)C(C)(C)C
InChIInChI=1S/C15H22O4/c1-15(2,3)11(14(16)17)9-10-19-13-8-6-5-7-12(13)18-4/h5-8,11H,9-10H2,1-4H3,(H,16,17)
InChIKeyHJDDWVPYWLPBSZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.21
Rot. Bonds6

About 2-[2-(2-methoxyphenoxy)ethyl]-3,3-dimethylbutanoic acid

2-[2-(2-methoxyphenoxy)ethyl]-3,3-dimethylbutanoic acid (PubChem CID 83136429) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenoxy)ethyl]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyphenoxy)ethyl]-3,3-dimethylbutanoic acid
PubChem CID83136429
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-[2-(2-methoxyphenoxy)ethyl]-3,3-dimethylbutanoic acid
SMILESCOc1ccccc1OCCC(C(=O)O)C(C)(C)C
InChIInChI=1S/C15H22O4/c1-15(2,3)11(14(16)17)9-10-19-13-8-6-5-7-12(13)18-4/h5-8,11H,9-10H2,1-4H3,(H,16,17)
InChIKeyHJDDWVPYWLPBSZ-UHFFFAOYSA-N
XLogP3.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid
CID 103973316
2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid
CID 63041236
1-[3-(chloromethyl)-4,4-dimethylpentoxy]-2-methoxybenzene
CID 83142159
4-(2-methoxyphenoxy)-2-methyl-2-(methylcarbamoyl)butanoic acid
CID 114900217
4-(2-methoxyphenoxy)-2-methylbutan-1-ol
CID 66060440
3-(2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537701
1-(2-methoxyphenoxy)pentan-3-ol
CID 112501425
2-(3-fluorophenyl)-4-(2-methoxyphenoxy)butanoic acid
CID 82136686
(2R)-2-[3-(2-methoxyphenoxy)propanoylamino]-3-methylbutanoic acid
CID 92923984
2-(2-methoxyphenoxy)ethyl carbamate
CID 54433856
11-(2-methoxyphenoxy)undecanoic acid
CID 54541327
4-(2-methoxyphenoxy)-2-methyl-1-phenylbutan-1-amine
CID 104845245

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenoxy)ethyl]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[2-(2-methoxyphenoxy)ethyl]-3,3-dimethylbutanoic acid (CID 83136429) is 2-[2-(2-methoxyphenoxy)ethyl]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[2-(2-methoxyphenoxy)ethyl]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[2-(2-methoxyphenoxy)ethyl]-3,3-dimethylbutanoic acid is COc1ccccc1OCCC(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-[2-(2-methoxyphenoxy)ethyl]-3,3-dimethylbutanoic acid?
The InChIKey is HJDDWVPYWLPBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-15(2,3)11(14(16)17)9-10-19-13-8-6-5-7-12(13)18-4/h5-8,11H,9-10H2,1-4H3,(H,16,17).
What are the key properties of 2-[2-(2-methoxyphenoxy)ethyl]-3,3-dimethylbutanoic acid?
2-[2-(2-methoxyphenoxy)ethyl]-3,3-dimethylbutanoic acid has a molecular weight of 266.34 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenoxy)ethyl]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 83136429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).