3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]propanoic acid

C15H20O4 — CID 59767606

IUPAC3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]propanoic acid
SMILESCCC1(COc2ccc(CCC(=O)O)cc2)COC1
InChIInChI=1S/C15H20O4/c1-2-15(9-18-10-15)11-19-13-6-3-12(4-7-13)5-8-14(16)17/h3-4,6-7H,2,5,8-11H2,1H3,(H,16,17)
InChIKeyIVZGMAIKUCZVBD-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.51
Rot. Bonds7

About 3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]propanoic acid

3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]propanoic acid (PubChem CID 59767606) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]propanoic acid
PubChem CID59767606
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]propanoic acid
SMILESCCC1(COc2ccc(CCC(=O)O)cc2)COC1
InChIInChI=1S/C15H20O4/c1-2-15(9-18-10-15)11-19-13-6-3-12(4-7-13)5-8-14(16)17/h3-4,6-7H,2,5,8-11H2,1H3,(H,16,17)
InChIKeyIVZGMAIKUCZVBD-UHFFFAOYSA-N
XLogP2.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]propanoic 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-[(3-ethyloxetan-3-yl)methoxy]phenyl]-phenylmethanone
CID 90438012
[4-[(3-ethyloxetan-3-yl)methoxy]phenyl] 2-methylprop-2-enoate
CID 58862986
N-[4-[4-(N-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-propylphenyl)aniline
CID 143613681
3-[[4-[1,1-bis[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-ethyloxetane
CID 59386218
methyl 2-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]acetate
CID 71854632
2,5-bis[[4-[(3-ethyloxetan-3-yl)methoxy]benzoyl]oxy]benzoic acid
CID 59702732
2-[4-[2-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]acetyl]oxyphenoxy]ethyl prop-2-enoate
CID 58922054
1-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]pyrrole-2,5-dione
CID 71423852
[4-(trifluoromethoxy)phenyl] 4-[(3-ethyloxetan-3-yl)methoxy]benzoate
CID 59767520
3-[4-(ethylphosphanylmethoxy)phenyl]propanoic acid
CID 143338462
4-[8-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenoxy]octoxy]phenol
CID 59711338
(3-ethyloxetan-3-yl)methyl 2,5-bis[[4-[(3-ethyloxetan-3-yl)methoxy]benzoyl]oxy]benzoate
CID 59702730

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]propanoic acid (CID 59767606) is 3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]propanoic acid is CCC1(COc2ccc(CCC(=O)O)cc2)COC1.
What is the InChIKey of 3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]propanoic acid?
The InChIKey is IVZGMAIKUCZVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-2-15(9-18-10-15)11-19-13-6-3-12(4-7-13)5-8-14(16)17/h3-4,6-7H,2,5,8-11H2,1H3,(H,16,17).
What are the key properties of 3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]propanoic acid?
3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 59767606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).