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Molecule
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
Identifiers
CAS Registry Number
1563-38-8
SMILES
CC1(C)Cc2cccc(O)c2O1
InChI Key
WJGPNUBJBMCRQH-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3
Names and Synonyms
- Carbofuran Phenol Synonym
- 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl- Synonym
- 2,3-Dihydro-2,2-dimethyl-7-benzofuranol Synonym
- 2,3-Dihydro-2,2-dimethyl-7-hydroxybenzofuran Synonym
- NIA 10272 Synonym
- 2,3-Dihydro-7-hydroxy-2,2-dimethyl benzofuran Synonym
- Carbofuran phenol Synonym
- 2,2-Dimethyl-2,3-dihydro-7-benzofuranol Synonym
- 2,2-Dimethyl-7-hydroxy-2,3-dihydrobenzofuran Synonym
- 7-Hydroxy-2,2-dimethyl-2,3-dihydrobenzofuran Synonym
- Carbofuran 7-phenol Synonym
- 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-ol Synonym
- 7-Hydroxy-2,2-dimethyl-2,3-dihydrobenzo[b]furan Synonym
- 2,2-Dimethyl-2,3-dihydrobenzo[b]furan-7-ol Synonym
- 2,2-Dimethyl-3H-1-benzofuran-7-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 164.20 g/mol | CAS Common Chemistry |
| 164.20399999999998 g/mol | RDKit | |
| 164.204 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 |
| 2.01 | chempirical lib | |
| Molar Refractivity | 46.51780000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 164.083729624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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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.
External Resources
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MW = 164.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H12O2.
