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4,4′,4′′-Methylidynetris[Phenol]
CAS: 603-44-1 | C19H16O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
603-44-1
Molecular Formula:
C19H16O3
Molecular Mass:
292.33 g/mol
Names and Synonyms:
4,4′,4′′-Methylidynetris[Phenol]
Tris(4-hydroxyphenyl)methane
4,4′,4′′-Methylidynetrisphenol
Trisphenol PHBA
NSC 75955
Phenol, 4,4′,4′′-methylidynetris-
Phenol, 4,4′,4′′-methylidynetri-
Leucaurin
4,4′,4′′-Methylidynetris[phenol]
Leucoaurin
Tris(p-hydroxyphenyl)methane
4,4′,4′′-Trihydroxytriphenylmethane
4,4′,4′′-Trihydroxyphenylmethane
BisP-PHBA
BIP-PHBZ
AV Lite BIP-PHBZ
TrisP-M
TrisP-PHBA
Tri(4-hydroxyphenyl)methane
Tris P-PHBA-S
Identifiers:
SMILES:
Oc1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChI:
InChI=1S/C19H16O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19-22H
Key Properties
Melting Point
240 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| 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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 292.33 g/mol | CAS Common Chemistry |
| 292.334 g/mol | RDKit | |
| 292.109944372 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(C=C1)C(C2=CC=C(O)C=C2)C3=CC=C(O)C=C3 | CAS Common Chemistry |
| InChI | InChI=1S/C19H16O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19-22H | CAS Common Chemistry |
| InChI Key | InChIKey=WFCQTAXSWSWIHS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 240 °C | CAS Common Chemistry |
| Name | 4,4′,4′′-Methylidynetris[phenol] | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 60.69 Ų | RDKit |
| LogP | 3.983600000000002 | RDKit |
| Molar Refractivity | 85.26540000000003 | RDKit |
