Phenolphthalein | SBID = 1599 | Compound |
Structure
Molecular Properties
| Interactions: | 6 | ||
| PubChem TPSA/Å2: | 66.8 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.6 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 247.8 | ||
| Sum Formula: | C20H14O4 | ||
| M / g/mol: | 318.3 | ||
| Complexity: | 438.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags: aromatic, dye
- Name: Phenolphthalein
- Preferred Abbreviation: Phenolphthalein
- IUPAC Name: 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
- CAS: 77-09-8
- CID: 4764
- InChiKey: KJFMBFZCATUALV-UHFFFAOYSA-N
- InChi: InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
- CanoSmiles: C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
- IsoSmiles: C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
