2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]propanoic acid

C15H20O4 — CID 116872053

IUPAC2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]propanoic acid
SMILESCOc1cc(C)c(C2(C(C)C(=O)O)COC2)cc1C
InChIInChI=1S/C15H20O4/c1-9-6-13(18-4)10(2)5-12(9)15(7-19-8-15)11(3)14(16)17/h5-6,11H,7-8H2,1-4H3,(H,16,17)
InChIKeyVVRMFGILDKLSHV-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.30
Rot. Bonds4

About 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]propanoic acid

2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]propanoic acid (PubChem CID 116872053) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]propanoic acid
PubChem CID116872053
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]propanoic acid
SMILESCOc1cc(C)c(C2(C(C)C(=O)O)COC2)cc1C
InChIInChI=1S/C15H20O4/c1-9-6-13(18-4)10(2)5-12(9)15(7-19-8-15)11(3)14(16)17/h5-6,11H,7-8H2,1-4H3,(H,16,17)
InChIKeyVVRMFGILDKLSHV-UHFFFAOYSA-N
XLogP2.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid
CID 116874328
methyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate
CID 116873446
4-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]butan-2-one
CID 116873901
3-chloro-3-(4-methoxy-2,5-dimethylphenyl)oxetane
CID 116876485
2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propanoic acid
CID 116872058
2-amino-1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanol
CID 116874500
[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]hydrazine
CID 116876261
1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanone
CID 116873741
1-[3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]ethanone
CID 116873715
2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595
[3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116944822
2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine
CID 116872267

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]propanoic acid?
The IUPAC name of 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]propanoic acid (CID 116872053) is 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]propanoic acid.
What is the SMILES notation for 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]propanoic acid?
The canonical SMILES for 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]propanoic acid is COc1cc(C)c(C2(C(C)C(=O)O)COC2)cc1C.
What is the InChIKey of 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]propanoic acid?
The InChIKey is VVRMFGILDKLSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-9-6-13(18-4)10(2)5-12(9)15(7-19-8-15)11(3)14(16)17/h5-6,11H,7-8H2,1-4H3,(H,16,17).
What are the key properties of 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]propanoic acid?
2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]propanoic acid is sourced from PubChem (CID 116872053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).