3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]-2-methylpropanoic acid

C14H18O5 — CID 117419672

IUPAC3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]-2-methylpropanoic acid
SMILESCOc1ccc(CC(C)C(=O)O)cc1OC1COC1
InChIInChI=1S/C14H18O5/c1-9(14(15)16)5-10-3-4-12(17-2)13(6-10)19-11-7-18-8-11/h3-4,6,9,11H,5,7-8H2,1-2H3,(H,15,16)
InChIKeyDEXKXGAVHRWBLI-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.74
Rot. Bonds6

About 3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]-2-methylpropanoic acid

3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]-2-methylpropanoic acid (PubChem CID 117419672) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]-2-methylpropanoic acid
PubChem CID117419672
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]-2-methylpropanoic acid
SMILESCOc1ccc(CC(C)C(=O)O)cc1OC1COC1
InChIInChI=1S/C14H18O5/c1-9(14(15)16)5-10-3-4-12(17-2)13(6-10)19-11-7-18-8-11/h3-4,6,9,11H,5,7-8H2,1-2H3,(H,15,16)
InChIKeyDEXKXGAVHRWBLI-UHFFFAOYSA-N
XLogP1.74
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-methoxy-3-(oxan-4-yloxy)phenyl]-2-methylpropanoic acid
CID 117474871
2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid
CID 115004769
2-amino-3-[3-methoxy-4-(oxetan-3-yloxy)phenyl]propanoic acid
CID 117421344
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropanoic acid
CID 117473404
3-[3-methoxy-4-(thietan-3-yloxy)phenyl]-2-methylpropanoic acid
CID 117453816
2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol
CID 117349285
3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid
CID 117442816
3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid
CID 117425393
2-amino-3-[3-chloro-4-(oxetan-3-yloxy)phenyl]propanoic acid
CID 117431915
4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid
CID 117449997
3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid
CID 70957387
(2S,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 58000802

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]-2-methylpropanoic acid (CID 117419672) is 3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]-2-methylpropanoic acid is COc1ccc(CC(C)C(=O)O)cc1OC1COC1.
What is the InChIKey of 3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]-2-methylpropanoic acid?
The InChIKey is DEXKXGAVHRWBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-9(14(15)16)5-10-3-4-12(17-2)13(6-10)19-11-7-18-8-11/h3-4,6,9,11H,5,7-8H2,1-2H3,(H,15,16).
What are the key properties of 3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]-2-methylpropanoic acid?
3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]-2-methylpropanoic acid has a molecular weight of 266.29 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 117419672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).