4-[2-[4-(oxetan-2-ylmethoxy)phenyl]ethenyl]benzoic acid

C19H18O4 — CID 67413012

IUPAC4-[2-[4-(oxetan-2-ylmethoxy)phenyl]ethenyl]benzoic acid
SMILESO=C(O)c1ccc(C=Cc2ccc(OCC3CCO3)cc2)cc1
InChIInChI=1S/C19H18O4/c20-19(21)16-7-3-14(4-8-16)1-2-15-5-9-17(10-6-15)23-13-18-11-12-22-18/h1-10,18H,11-13H2,(H,20,21)
InChIKeyWPKZUQIUTSGWLH-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.72
Rot. Bonds6

About 4-[2-[4-(oxetan-2-ylmethoxy)phenyl]ethenyl]benzoic acid

4-[2-[4-(oxetan-2-ylmethoxy)phenyl]ethenyl]benzoic acid (PubChem CID 67413012) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-[2-[4-(oxetan-2-ylmethoxy)phenyl]ethenyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[4-(oxetan-2-ylmethoxy)phenyl]ethenyl]benzoic acid
PubChem CID67413012
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name4-[2-[4-(oxetan-2-ylmethoxy)phenyl]ethenyl]benzoic acid
SMILESO=C(O)c1ccc(C=Cc2ccc(OCC3CCO3)cc2)cc1
InChIInChI=1S/C19H18O4/c20-19(21)16-7-3-14(4-8-16)1-2-15-5-9-17(10-6-15)23-13-18-11-12-22-18/h1-10,18H,11-13H2,(H,20,21)
InChIKeyWPKZUQIUTSGWLH-UHFFFAOYSA-N
XLogP3.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[2-(oxolan-2-ylmethoxy)ethoxy]benzoic acid
CID 43532303
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533273
(2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane
CID 129392534
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
(E)-3-(4-chlorophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 17195491
4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid
CID 119216307
4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid
CID 67836991
4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid
CID 67828586
[2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 29182803
1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(oxetan-2-ylmethoxy)phenyl]ethenyl]benzoic acid?
The IUPAC name of 4-[2-[4-(oxetan-2-ylmethoxy)phenyl]ethenyl]benzoic acid (CID 67413012) is 4-[2-[4-(oxetan-2-ylmethoxy)phenyl]ethenyl]benzoic acid.
What is the SMILES notation for 4-[2-[4-(oxetan-2-ylmethoxy)phenyl]ethenyl]benzoic acid?
The canonical SMILES for 4-[2-[4-(oxetan-2-ylmethoxy)phenyl]ethenyl]benzoic acid is O=C(O)c1ccc(C=Cc2ccc(OCC3CCO3)cc2)cc1.
What is the InChIKey of 4-[2-[4-(oxetan-2-ylmethoxy)phenyl]ethenyl]benzoic acid?
The InChIKey is WPKZUQIUTSGWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c20-19(21)16-7-3-14(4-8-16)1-2-15-5-9-17(10-6-15)23-13-18-11-12-22-18/h1-10,18H,11-13H2,(H,20,21).
What are the key properties of 4-[2-[4-(oxetan-2-ylmethoxy)phenyl]ethenyl]benzoic acid?
4-[2-[4-(oxetan-2-ylmethoxy)phenyl]ethenyl]benzoic acid has a molecular weight of 310.35 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(oxetan-2-ylmethoxy)phenyl]ethenyl]benzoic acid is sourced from PubChem (CID 67413012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).