tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate

C14H21NO3 — CID 10729437

IUPACtert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate
SMILESCc1cc(O)c(C)c(C)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO3/c1-8-7-11(16)9(2)10(3)12(8)15-13(17)18-14(4,5)6/h7,16H,1-6H3,(H,15,17)
InChIKeyJEVIOGKIJOREOJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.66
Rot. Bonds1

About tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate

tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate (PubChem CID 10729437) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate
PubChem CID10729437
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate
SMILESCc1cc(O)c(C)c(C)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO3/c1-8-7-11(16)9(2)10(3)12(8)15-13(17)18-14(4,5)6/h7,16H,1-6H3,(H,15,17)
InChIKeyJEVIOGKIJOREOJ-UHFFFAOYSA-N
XLogP3.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(4-hydroxyphenyl)carbamate;tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate
CID 87634757
tert-butyl N-(3-formyl-2,4,6-trimethylphenyl)carbamate
CID 84807209
tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate
CID 10609921
tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 65143138
tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 24700779
tert-butyl N-[2,6-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]carbamate
CID 123402023
tert-butyl N-(4-hydroxy-2,3,5-trimethylphenyl)carbamate
CID 22048539
3,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 2757215
ethyl 2,4,6-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzenesulfonate
CID 91051240
tert-butyl N-(2-fluoro-4-formyl-3,6-dimethylphenyl)carbamate
CID 84808075
3-[2,3,5,6-tetramethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]propanoic acid
CID 57137772
tert-butyl N-(2,4,6-trifluoro-3-methylphenyl)carbamate
CID 138750883

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate?
The IUPAC name of tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate (CID 10729437) is tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate is Cc1cc(O)c(C)c(C)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate?
The InChIKey is JEVIOGKIJOREOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-8-7-11(16)9(2)10(3)12(8)15-13(17)18-14(4,5)6/h7,16H,1-6H3,(H,15,17).
What are the key properties of tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate?
tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate has a molecular weight of 251.33 g/mol, XLogP of 3.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate is sourced from PubChem (CID 10729437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).