Basic information
- CAS
62442-60-8- Standard SMILES
COCc1c(C)oc2c(C)c3oc(=O)cc(C)c3cc12- InChIKey
UPAKHQWBZFCLMG-UHFFFAOYSA-N- Molecular formula
- C16H16O4
- Average molar mass
- 272.29 g/mol
- Monoisotopic mass
- 272.10485899
Names & identifiers
- Preferred name
- 7H-Furo(3,2-g)(1)benzopyran-7-one, 3-(methoxymethyl)-2,5,9-trimethyl-
- IUPAC
- 3-(methoxymethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one
Names & synonyms
62442-60-8NSC2921559Q62IL2RMP7H-Furo(3,2-g)(1)benzopyran-7-one, 3-(methoxymethyl)-2,5,9-trimethyl-NSC-2921553-(Methoxymethyl)-2,5,9-trimethyl-7H-furo(3,2-g)(1)benzopyran-7-one4'-(Methoxymethyl)-4,5',8-trimethylfurocoumarin3-(Methoxymethyl)-2,5,9-trimethyl-7H-furo[3,2-g][1]benzopyran-7-oneNSC 292155UNII-9Q62IL2RMPCHEMBL141099SCHEMBL1006100
Show more names
DTXSID902114863-(Methoxymethyl)-2,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one4'-methoxymethyl-4,5',8-trimethylpsoralen7H-Furo[3, 3-(methoxymethyl)-2,5,9-trimethyl-WLN: T C566 DO LVOJ B1 E1 F1O1 J16-(METHOXYMETHYL)-4,7,8-TRIMETHYLPSORALEN3-(methoxymethyl)-2,5,9-trimethyl-furo[3,2-g]chromen-7-one{7H-Furo[3,} {2-g][1]benzopyran-7-one,} 3-(methoxymethyl)-2,5,9-trimethyl-
Database identifiers
- CAS
62442-60-8- PubChem CID
- 100375
- DTXSID
DTXSID90211486- ChEMBL
CHEMBL141099- UNII
- 9Q62IL2RMP
- Nikkaji
- J1.059.372G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 48.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…