Methyl 2,2-dimethyl-6-phenylmethoxybenzo[h]chromene-5-carboxylate
PubChem CID: 10643132
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| Compound Synonyms | CHEMBL457824, SCHEMBL6897242 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 577.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2,2-dimethyl-6-phenylmethoxybenzo[h]chromene-5-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C24H22O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SPFNOIXUFBBVOQ-UHFFFAOYSA-N |
| Fcsp3 | 0.2083333333333333 |
| Logs | -5.927 |
| Rotatable Bond Count | 5.0 |
| Logd | 5.135 |
| Compound Name | Methyl 2,2-dimethyl-6-phenylmethoxybenzo[h]chromene-5-carboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 374.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 374.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 374.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.662660342857143 |
| Inchi | InChI=1S/C24H22O4/c1-24(2)14-13-19-20(23(25)26-3)22(27-15-16-9-5-4-6-10-16)18-12-8-7-11-17(18)21(19)28-24/h4-14H,15H2,1-3H3 |
| Smiles | CC1(C=CC2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)OCC4=CC=CC=C4)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rubia Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients