2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propanoic acid

C15H20O4 — CID 116872058

IUPAC2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propanoic acid
SMILESCCOc1ccc(C2(C(C)C(=O)O)COC2)cc1C
InChIInChI=1S/C15H20O4/c1-4-19-13-6-5-12(7-10(13)2)15(8-18-9-15)11(3)14(16)17/h5-7,11H,4,8-9H2,1-3H3,(H,16,17)
InChIKeyRETRTPPWUDOMOS-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.38
Rot. Bonds5

About 2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propanoic acid

2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propanoic acid (PubChem CID 116872058) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propanoic acid
PubChem CID116872058
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propanoic acid
SMILESCCOc1ccc(C2(C(C)C(=O)O)COC2)cc1C
InChIInChI=1S/C15H20O4/c1-4-19-13-6-5-12(7-10(13)2)15(8-18-9-15)11(3)14(16)17/h5-7,11H,4,8-9H2,1-3H3,(H,16,17)
InChIKeyRETRTPPWUDOMOS-UHFFFAOYSA-N
XLogP2.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]acetic acid
CID 116874334
1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]ethanamine
CID 116869361
1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one
CID 116873822
1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 82286246
2-[3-(3,4-dimethylphenyl)oxetan-3-yl]butanoic acid
CID 116875200
2-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid
CID 116872045
2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]propanoic acid
CID 116872053
2-[3-(2-oxo-3H-1,3-benzoxazol-5-yl)oxetan-3-yl]propanoic acid
CID 116872084
2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]-N-methylethanamine
CID 116869656
4-(4-ethoxy-3-methylphenyl)-2-methylbutanoic acid
CID 116926908
3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylic acid
CID 116989347
2-chloro-2-(4-ethoxy-3-methylphenyl)acetic acid
CID 82288310

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propanoic acid?
The IUPAC name of 2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propanoic acid (CID 116872058) is 2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propanoic acid.
What is the SMILES notation for 2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propanoic acid?
The canonical SMILES for 2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propanoic acid is CCOc1ccc(C2(C(C)C(=O)O)COC2)cc1C.
What is the InChIKey of 2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propanoic acid?
The InChIKey is RETRTPPWUDOMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-4-19-13-6-5-12(7-10(13)2)15(8-18-9-15)11(3)14(16)17/h5-7,11H,4,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propanoic acid?
2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propanoic acid is sourced from PubChem (CID 116872058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).