3,4'-Dimethyl-8-methoxypsoralen
Basic information
- CAS
85985-46-2- Standard SMILES
COc1c2oc(=O)c(C)cc2cc2c(C)coc12- InChIKey
INHFGZBONLVXLR-UHFFFAOYSA-N- Molecular formula
- C14H12O4
- Average molar mass
- 244.24 g/mol
- Monoisotopic mass
- 244.07355886
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3,4'-Dimethyl-8-methoxypsoralen
- IUPAC
- 9-methoxy-3,6-dimethylfuro[3,2-g]chromen-7-one
- English name
- 3,4'-dimethyl-8-methoxypsoralen
- Molecular formula
- C14H12O4
- Molecular weight
- 244.24
Names & synonyms
Dme-8-mop3,4'-Dimethyl-8-methoxypsoralen3,4'-Dimethyl-8-mop85985-46-2RefChem:908597H-Furo(3,2-g)(1)benzopyran-7-one, 9-methoxy-3,6-dimethyl-CHEMBL1077944DTXSID8010065669-Methoxy-3,6-dimethyl-7H-furo[3,2-g][1]benzopyran-7-one7H-Furo[3,2-g][1]benzopyran-7-one, 9-methoxy-3,6-dimethyl-
Database identifiers
- CAS
85985-46-2- PubChem CID
- 128797
- DTXSID
DTXSID801006566- ChEMBL
CHEMBL1077944- Nikkaji
- J823.088I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 48.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 389
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Related reactions
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Compound notes
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