3,3'-Dimethoxybenzil - CAS 40101-17-5
Catalog: |
BB024309 |
Product Name: |
3,3'-Dimethoxybenzil |
CAS: |
40101-17-5 |
Synonyms: |
1,2-bis(3-methoxyphenyl)ethane-1,2-dione |
IUPAC Name: | 1,2-bis(3-methoxyphenyl)ethane-1,2-dione |
Description: | 3,3'-Dimethoxybenzil (CAS# 40101-17-5 ) is a useful research chemical. |
Molecular Weight: | 270.28 |
Molecular Formula: | C16H14O4 |
Canonical SMILES: | COC1=CC=CC(=C1)C(=O)C(=O)C2=CC(=CC=C2)OC |
InChI: | InChI=1S/C16H14O4/c1-19-13-7-3-5-11(9-13)15(17)16(18)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3 |
InChI Key: | PJGXOGKIVAJFTE-UHFFFAOYSA-N |
Boiling Point: | 442.2 ℃ at 760 mmHg |
Density: | 1.183 g/cm3 |
Solubility: | Insoluble in water. |
Appearance: | Yellow powder |
MDL: | MFCD00038221 |
LogP: | 2.76940 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112638889-A | Urolithin A and derivatives thereof for use in therapy | 20180515 |
EP-3793984-A1 | Urolithin a and derivatives thereof for use in therapy | 20180515 |
KR-20210042264-A | Urolitin A and its derivatives for use in therapy | 20180515 |
US-2021267932-A1 | Compounds, compositions, methods of using, and methods for preparing compounds | 20180515 |
US-10144742-B2 | Quinoxaline compounds and uses thereof | 20140418 |
PMID | Publication Date | Title | Journal |
19062296 | 20090101 | Comparison of benzil and trifluoromethyl ketone (TFK)-mediated carboxylesterase inhibition using classical and 3D-quantitative structure-activity relationship analysis | Bioorganic & medicinal chemistry |
15828829 | 20050421 | Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases | Journal of medicinal chemistry |
Complexity: | 318 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.08920892 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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