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Molecule
(4-Hydroxyphenyl)Carbamic Acid Tert-Butyl Ester
CAS: 54840-15-2 · C11H15NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 54840-15-2
- Molecular Formula
- C11H15NO3
- Molecular Mass
- 209.24 g/mol
Identifiers
CAS Registry Number
54840-15-2
SMILES
CC(C)(C)OC(=O)Nc1ccc(O)cc1
InChI Key
YRQMBQUMJFVZLF-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h4-7,13H,1-3H3,(H,12,14)
Names and Synonyms
- (4-Hydroxyphenyl)Carbamic Acid Tert-Butyl Ester Common Name
- Carbamic acid, N-(4-hydroxyphenyl)-, 1,1-dimethylethyl ester Synonym
- Carbamic acid, (4-hydroxyphenyl)-, 1,1-dimethylethyl ester Synonym
- 4-[(tert-Butoxycarbonyl)amino]phenol Synonym
- tert-Butyl p-hydroxycarbanilate Synonym
- tert-Butyl 4-hydroxyphenylcarbamate Synonym
- tert-Butyl N-(4-hydroxyphenyl)carbamate Synonym
- N-(4-Hydroxyphenyl)carbamic acid tert-butyl ester Synonym
- (4-Hydroxyphenyl)carbamic acid tert-butyl ester Synonym
- N-(tert-Butoxycarbonyl)-4-hydroxyaniline Synonym
- 4-(N-t-Butoxycarbonylamino)phenol Synonym
- 1,1-Dimethylethyl (4-hydroxyphenyl)carbamate Synonym
- 4-Hydroxy-N-(tert-butoxycarbonyl)aniline Synonym
- N-Boc-4-hydroxyaniline Synonym
- N-Boc-4-aminophenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 209.24 g/mol | CAS Common Chemistry |
| 209.245 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NC1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H15NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h4-7,13H,1-3H3,(H,12,14) | CAS Common Chemistry |
| InChI Key | InChIKey=YRQMBQUMJFVZLF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 146 °C | CAS Common Chemistry |
| Name | (4-Hydroxyphenyl)carbamic acid tert-butyl ester | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 58.56 Ų | RDKit |
| LogP | 2.7392000000000003 | RDKit |
| 2.7392 | RDKit | |
| Molar Refractivity | 57.96350000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3636 | RDKit |
| 0.36 | chempirical lib | |
| Exact Mass | 209.10519334 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 = 209.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H15NO3.
