5-Methoxy-3-methyl-1H-naphtho[2,1-b]pyran-1-one
PubChem CID: 617604
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| Compound Synonyms | 5-Methoxy-3-methyl-1H-naphtho[2,1-b]pyran-1-one, 5891-85-0, 1H-Naphtho[2,1-b]pyran-1-one, 5-methoxy-3-methyl-, DOWFWVOHCCEOHO-UHFFFAOYSA-N, DB-296231, 5-Methoxy-3-methyl-1H-benzo[f]chromen-1-one # |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 374.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxy-3-methylbenzo[f]chromen-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C15H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DOWFWVOHCCEOHO-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -4.976 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.018 |
| Compound Name | 5-Methoxy-3-methyl-1H-naphtho[2,1-b]pyran-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 240.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.319655155555556 |
| Inchi | InChI=1S/C15H12O3/c1-9-7-12(16)14-11-6-4-3-5-10(11)8-13(17-2)15(14)18-9/h3-8H,1-2H3 |
| Smiles | CC1=CC(=O)C2=C(O1)C(=CC3=CC=CC=C32)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients