2-(3-methoxyphenoxy)-2-methylbutanoic acid

C12H16O4 — CID 114987502

IUPAC2-(3-methoxyphenoxy)-2-methylbutanoic acid
SMILESCCC(C)(Oc1cccc(OC)c1)C(=O)O
InChIInChI=1S/C12H16O4/c1-4-12(2,11(13)14)16-10-7-5-6-9(8-10)15-3/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyPLHLIWBVUUSTAG-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.33
Rot. Bonds5

About 2-(3-methoxyphenoxy)-2-methylbutanoic acid

2-(3-methoxyphenoxy)-2-methylbutanoic acid (PubChem CID 114987502) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-2-methylbutanoic acid
PubChem CID114987502
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-(3-methoxyphenoxy)-2-methylbutanoic acid
SMILESCCC(C)(Oc1cccc(OC)c1)C(=O)O
InChIInChI=1S/C12H16O4/c1-4-12(2,11(13)14)16-10-7-5-6-9(8-10)15-3/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyPLHLIWBVUUSTAG-UHFFFAOYSA-N
XLogP2.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-methoxyphenoxy)-2-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-2-(3-methoxyphenoxy)-2-methylbutanoic acid
CID 68841412
2-[3-[2-[heptyl-[2-(3-methoxyphenyl)acetyl]amino]ethyl]phenoxy]-2-methylbutanoic acid
CID 57438347
2-(4-carbamoylphenoxy)-2-methylbutanoic acid
CID 114990324
2-ethyl-2-(3-methoxyphenyl)propanedioic acid
CID 165450739
4-hydroxy-4-(3-methoxyphenoxy)pentanoic acid
CID 68841410
methyl 2-(3-methoxyphenoxy)-2-methylpropanoate
CID 70830796
2-(3-acetylphenoxy)-3-methoxy-2-methylpropanoic acid
CID 67452008
2-(3-methoxyphenyl)-2-methylpropanedioic acid
CID 83536911
2-ethoxy-2-(3-methoxyphenyl)propanoic acid
CID 114987500
2-(3-bromophenoxy)-2,4,4-trimethylpentanoic acid
CID 70024558
3-(3-methoxy-N-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821580
2-bromo-2-(3-methoxyphenyl)propanoic acid
CID 19795685

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-2-methylbutanoic acid?
The IUPAC name of 2-(3-methoxyphenoxy)-2-methylbutanoic acid (CID 114987502) is 2-(3-methoxyphenoxy)-2-methylbutanoic acid.
What is the SMILES notation for 2-(3-methoxyphenoxy)-2-methylbutanoic acid?
The canonical SMILES for 2-(3-methoxyphenoxy)-2-methylbutanoic acid is CCC(C)(Oc1cccc(OC)c1)C(=O)O.
What is the InChIKey of 2-(3-methoxyphenoxy)-2-methylbutanoic acid?
The InChIKey is PLHLIWBVUUSTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-4-12(2,11(13)14)16-10-7-5-6-9(8-10)15-3/h5-8H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-(3-methoxyphenoxy)-2-methylbutanoic acid?
2-(3-methoxyphenoxy)-2-methylbutanoic acid has a molecular weight of 224.26 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-2-methylbutanoic acid is sourced from PubChem (CID 114987502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).