Pongol methyl ether
PubChem CID: 636768
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| Compound Synonyms | Pongol methyl ether, Cauliflorin A, 2-(3-methoxyphenyl)furo[2,3-h]chromen-4-one, 2-(3-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one, CHEMBL3581062, SCHEMBL21828763, CHEBI:196228, LMPK12110012, 2-(3-methoxyphenyl)uro[2,3-h]chromen-4-one, 2-(3-Methoxy-phenyl)-furo[2,3-h]chromen-4-one, 2-(3-methoxyphenyl)-4H-furo[2,3-h]chromen-4-one, 4H-furo[2,3-h]-1-benzopyran-4-one, 2-(3-methoxyphenyl)-, InChI=1/C18H12O4/c1-20-12-4-2-3-11(9-12)17-10-15(19)13-5-6-16-14(7-8-21-16)18(13)22-17/h2-10H,1H |
|---|---|
| Topological Polar Surface Area | 48.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 472.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-methoxyphenyl)furo[2,3-h]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C18H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OHKLPDQPGIVELF-UHFFFAOYSA-N |
| Fcsp3 | 0.0555555555555555 |
| Logs | -6.481 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.081 |
| Compound Name | Pongol methyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 292.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 292.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8980889090909088 |
| Inchi | InChI=1S/C18H12O4/c1-20-12-4-2-3-11(9-12)17-10-15(19)13-5-6-16-14(7-8-21-16)18(13)22-17/h2-10H,1H3 |
| Smiles | COC1=CC=CC(=C1)C2=CC(=O)C3=C(O2)C4=C(C=C3)OC=C4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
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