Phenol, 2-allyl-5-tert-butyl-, carbamate

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Basic information

CAS: 52030-35-0
Standard SMILES: C=CCc1ccc(C(C)(C)C)cc1OC(N)=O
InChIKey: YFDPFQKKLGVLOX-UHFFFAOYSA-N
Molecular formula: C14H19NO2
Average molar mass: 233.31 g/mol
Monoisotopic mass: 233.14157885

Names & identifiers

Preferred name: Phenol, 2-allyl-5-tert-butyl-, carbamate
IUPAC: (5-tert-butyl-2-prop-2-enylphenyl) carbamate

Names & synonyms

Phenol, 2-allyl-5-tert-butyl-, carbamateBRN 26490742-Allyl-5-t-butylphenyl carbamate52030-35-0Phenol, 5-(1,1-dimethylethyl)-2-(2-propenyl)-, carbamateDTXSID80200001RefChem:369003DTXCID401224925-tert-Butyl-2-(prop-2-en-1-yl)phenyl carbamate

Database identifiers

CAS: 52030-35-0
PubChem CID: 3040322
DTXSID: DTXSID80200001

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 280

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