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Carbofuran Phenol
CAS: 1563-38-8 | C10H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1563-38-8
Molecular Formula:
C10H12O2
Molecular Mass:
164.20 g/mol
Names and Synonyms:
Carbofuran Phenol
7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-
2,3-Dihydro-2,2-dimethyl-7-benzofuranol
2,3-Dihydro-2,2-dimethyl-7-hydroxybenzofuran
NIA 10272
2,3-Dihydro-7-hydroxy-2,2-dimethyl benzofuran
Carbofuran phenol
2,2-Dimethyl-2,3-dihydro-7-benzofuranol
2,2-Dimethyl-7-hydroxy-2,3-dihydrobenzofuran
7-Hydroxy-2,2-dimethyl-2,3-dihydrobenzofuran
Carbofuran 7-phenol
2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-ol
7-Hydroxy-2,2-dimethyl-2,3-dihydrobenzo[b]furan
2,2-Dimethyl-2,3-dihydrobenzo[b]furan-7-ol
2,2-Dimethyl-3H-1-benzofuran-7-ol
Identifiers:
SMILES:
CC1(C)Cc2cccc(O)c2O1
InChI:
InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3
Key Properties
Boiling Point
120.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
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 |
|---|
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 | 164.20 g/mol | CAS Common Chemistry |
| 164.20399999999998 g/mol | RDKit | |
| 164.083729624 g/mol | RDKit | |
| Boiling Point | 120.5 °C | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=CC2=C1OC(C)(C)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WJGPNUBJBMCRQH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Carbofuran phenol | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 2.1057 | RDKit |
| Molar Refractivity | 46.51780000000003 | RDKit |
