2-(Hydroxymethyl)-5-[(4-methoxybenzyl)oxy]-4H-pyran-4-one - CAS 118708-61-5
Catalog: |
BB004236 |
Product Name: |
2-(Hydroxymethyl)-5-[(4-methoxybenzyl)oxy]-4H-pyran-4-one |
CAS: |
118708-61-5 |
Synonyms: |
2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]-4-pyranone; 2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]pyran-4-one |
IUPAC Name: | 2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]pyran-4-one |
Description: | 2-(Hydroxymethyl)-5-[(4-methoxybenzyl)oxy]-4H-pyran-4-one (CAS# 118708-61-5 ) is a useful research chemical. |
Molecular Weight: | 262.26 |
Molecular Formula: | C14H14O5 |
Canonical SMILES: | COC1=CC=C(C=C1)COC2=COC(=CC2=O)CO |
InChI: | InChI=1S/C14H14O5/c1-17-11-4-2-10(3-5-11)8-19-14-9-18-12(7-15)6-13(14)16/h2-6,9,15H,7-8H2,1H3 |
InChI Key: | SHHBEUOYUVPTCG-UHFFFAOYSA-N |
LogP: | 1.71970 |
Publication Number | Title | Priority Date |
CA-3079042-A1 | D-amino acid oxidase inhibitors and therapeutic uses thereof | 20171018 |
TW-201922725-A | D-type amino acid oxidase inhibitor and use thereof | 20171018 |
US-10336724-B2 | D-amino acid oxidase inhibitors and therapeutic uses thereof | 20171018 |
US-2019112289-A1 | D-amino acid oxidase inhibitors and therapeutic uses thereof | 20171018 |
WO-2019076329-A1 | INHIBITORS OF D-AMINO ACID OXIDASE AND THERAPEUTIC APPLICATIONS THEREOF | 20171018 |
Complexity: | 377 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.08412354 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.08412354 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 65 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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