4-(Phenoxymethyl)benzoic Acid - CAS 31719-76-3
Catalog: |
BB021033 |
Product Name: |
4-(Phenoxymethyl)benzoic Acid |
CAS: |
31719-76-3 |
Synonyms: |
4-(phenoxymethyl)benzoic acid; 4-(phenoxymethyl)benzoic acid |
IUPAC Name: | 4-(phenoxymethyl)benzoic acid |
Description: | 4-(Phenoxymethyl)benzoic Acid (CAS# 31719-76-3) is a useful research chemical. |
Molecular Weight: | 228.24 |
Molecular Formula: | C14H12O3 |
Canonical SMILES: | C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C14H12O3/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13/h1-9H,10H2,(H,15,16) |
InChI Key: | GRBUVHSYBRTCIB-UHFFFAOYSA-N |
Boiling Point: | 401.8 °C at 760 mmHg |
Density: | 1.222 g/cm3 |
MDL: | MFCD00623268 |
LogP: | 2.96380 |
Publication Number | Title | Priority Date |
US-10357477-B2 | Anticancer compounds | 20160913 |
US-2018071258-A1 | Anticancer compounds | 20160913 |
WO-2018019084-A1 | Benzamide compound and use thereof in preparing drugs inhibiting cancer cell proliferation and/or treating cancer | 20160725 |
CN-106029648-A | Substituted bipiperidinyl derivatives as adrenoreceptor alpha 2C antagonists | 20131219 |
EP-3083594-A1 | Substituted bipiperidinyl derivatives as adrenoreceptor alpha 2c antagonists | 20131219 |
PMID | Publication Date | Title | Journal |
30783504 | 20190214 | Computer-Assisted Discovery and Structural Optimization of a Novel Retinoid X Receptor Agonist Chemotype | ACS medicinal chemistry letters |
11455675 | 20010101 | Local anaesthetic effectivity and toxicity of fomocaine, five N-free fomocaine metabolites and two chiralic fomocaine derivatives in rats compared with procaine | Arzneimittel-Forschung |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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