Isophenolphthalein
Basic information
- CAS
2037-19-6- Standard SMILES
O=C1OC(c2ccc(O)cc2)(c2ccccc2O)c2ccccc21- InChIKey
OVELHKBTRXSQMT-UHFFFAOYSA-N- Molecular formula
- C20H14O4
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.08920892
Names & identifiers
- Preferred name
- Isophenolphthalein
- IUPAC
- 3-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one
Names & synonyms
IsophenolphthaleinMLS002638489NSC164682037-19-6CHEMBL2135269SCHEMBL14580568HMS3088A17NSC-16468SMR001547965Phthalide, 3-(o-hydroxyphenyl)-3-(p-hydroxyphenyl)-1(3H)-Isobenzofuranone, 3-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)-
Database identifiers
- CAS
2037-19-6- PubChem CID
- 226239
- ChEMBL
CHEMBL2135269
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 470
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Compound notes
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