Basic information
- CAS
167542-64-5- Standard SMILES
COc1c2ccoc2cc2oc(=O)c(C(c3ccccc3Cl)c3c(O)c4c(OC)c5ccoc5cc4oc3=O)c(O)c12- InChIKey
IKFLZKRGLXUZGG-UHFFFAOYSA-N- Molecular formula
- C31H19ClO10
- Average molar mass
- 586.9 g/mol
- Monoisotopic mass
- 586.0666745
Names & identifiers
- Preferred name
- 7H-Furo(3,2-g)(1)benzopyran-7-one, 6,6'-((2-chlorophenyl)methylene)bis(5-hydroxy-4-methoxy-
- IUPAC
- 6-[(2-chlorophenyl)-(5-hydroxy-4-methoxy-7-oxofuro[3,2-g]chromen-6-yl)methyl]-5-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one
Names & synonyms
3,3-(o-Chlorobenzylidene)-bis-(4-hydroxybergapten)7H-Furo(3,2-g)(1)benzopyran-7-one, 6,6'-((2-chlorophenyl)methylene)bis(5-hydroxy-4-methoxy-167542-64-56,6'-((2-Chlorophenyl)methylene)bis(5-hydroxy-4-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one)DTXSID501683066,6'-[(2-Chlorophenyl)methylene]bis(5-hydroxy-4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one)RefChem:311387DTXCID1090797SCHEMBL8584503
Database identifiers
- CAS
167542-64-5- PubChem CID
- 54697201
- DTXSID
DTXSID50168306
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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