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

C12H14O5 — CID 115004769

IUPAC2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1OC1COC1
InChIInChI=1S/C12H14O5/c1-15-10-3-2-8(5-12(13)14)4-11(10)17-9-6-16-7-9/h2-4,9H,5-7H2,1H3,(H,13,14)
InChIKeyHAGDINBOPNGZEE-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.10
Rot. Bonds5

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

2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid (PubChem CID 115004769) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid
PubChem CID115004769
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1OC1COC1
InChIInChI=1S/C12H14O5/c1-15-10-3-2-8(5-12(13)14)4-11(10)17-9-6-16-7-9/h2-4,9H,5-7H2,1H3,(H,13,14)
InChIKeyHAGDINBOPNGZEE-UHFFFAOYSA-N
XLogP1.10
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]-2-methylpropanoic acid
CID 117419672
1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one
CID 117415306
2-amino-3-[3-methoxy-4-(oxetan-3-yloxy)phenyl]propanoic acid
CID 117421344
4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid
CID 117449997
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
1-[4-methoxy-3-(thietan-3-yloxy)phenyl]propan-2-one
CID 115005223
3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117417024
2-(3,4-dimethoxyphenyl)-1-(1,4-dioxan-2-yl)ethanone
CID 62805451
2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol
CID 117349285
2-(3-iodo-4-methoxyphenyl)acetic acid
CID 13353983
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
3-[4-methoxy-3-(oxan-4-yloxy)phenyl]-2-methylpropanoic acid
CID 117474871

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid?
The IUPAC name of 2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid (CID 115004769) is 2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid.
What is the SMILES notation for 2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid?
The canonical SMILES for 2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid is COc1ccc(CC(=O)O)cc1OC1COC1.
What is the InChIKey of 2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid?
The InChIKey is HAGDINBOPNGZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-15-10-3-2-8(5-12(13)14)4-11(10)17-9-6-16-7-9/h2-4,9H,5-7H2,1H3,(H,13,14).
What are the key properties of 2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid?
2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid has a molecular weight of 238.24 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid is sourced from PubChem (CID 115004769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).