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Molecule
1,1-Bis(4-Hydroxyphenyl)-1-Phenylethane
CAS: 1571-75-1 · C20H18O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1571-75-1
- Molecular Formula
- C20H18O2
- Molecular Mass
- 290.36 g/mol
Identifiers
CAS Registry Number
1571-75-1
SMILES
CC(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1
InChI Key
VOWWYDCFAISREI-UHFFFAOYSA-N
InChI
InChI=1S/C20H18O2/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14,21-22H,1H3
Names and Synonyms
- 1,1-Bis(4-Hydroxyphenyl)-1-Phenylethane Synonym
- Phenol, 4,4′-(1-phenylethylidene)bis- Synonym
- Phenol, 4,4′-(α-methylbenzylidene)di- Synonym
- 4,4′-(1-Phenylethylidene)bis[phenol] Synonym
- 1,1-Bis(4-hydroxyphenyl)-1-phenylethane Synonym
- 4,4′-(α-Methylbenzylidene)diphenol Synonym
- Bis(4-hydroxyphenyl)methylphenylmethane Synonym
- Bisphenol ACP Synonym
- 4,4′-(1-Phenylethylidene)diphenol Synonym
- Bisphenol AP Synonym
- Bisp-Ap Synonym
- NK-AP Synonym
- α,α-Bis(4-hydroxyphenyl)ethylbenzene Synonym
- 1-Phenyl-1,1-bis(4-hydroxyphenyl)ethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 290.36 g/mol | CAS Common Chemistry |
| 290.362 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(C=C1)C(C=2C=CC=CC2)(C3=CC=C(O)C=C3)C | CAS Common Chemistry |
| InChI | InChI=1S/C20H18O2/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14,21-22H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VOWWYDCFAISREI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 175 °C | CAS Common Chemistry |
| Name | 1,1-Bis(4-hydroxyphenyl)-1-phenylethane | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 4.452100000000003 | RDKit |
| 4.4521 | RDKit | |
| Molar Refractivity | 88.21160000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1 | RDKit |
| Exact Mass | 290.130679816 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 290.36 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H18O2.
