tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate

C13H19NO3 — CID 10609921

IUPACtert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate
SMILESCc1cc(NC(=O)OC(C)(C)C)c(C)cc1O
InChIInChI=1S/C13H19NO3/c1-8-7-11(15)9(2)6-10(8)14-12(16)17-13(3,4)5/h6-7,15H,1-5H3,(H,14,16)
InChIKeyHYAXOCCNXTUFSN-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.36
Rot. Bonds1

About tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate

tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate (PubChem CID 10609921) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate
PubChem CID10609921
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nametert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate
SMILESCc1cc(NC(=O)OC(C)(C)C)c(C)cc1O
InChIInChI=1S/C13H19NO3/c1-8-7-11(15)9(2)6-10(8)14-12(16)17-13(3,4)5/h6-7,15H,1-5H3,(H,14,16)
InChIKeyHYAXOCCNXTUFSN-UHFFFAOYSA-N
XLogP3.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.36
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-hydroxy-2,3,5-trimethylphenyl)carbamate
CID 22048539
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate
CID 10729437
tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065
tert-butyl N-(4-iodo-2-methylphenyl)carbamate
CID 23074904
2-bromo-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 127019234
tert-butyl N-(5-chloro-4-methoxy-2-methylphenyl)carbamate
CID 69097022
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[2,5-dimethyl-4-[(1E)-2-methylbuta-1,3-dienyl]phenyl]carbamate
CID 146577471
methyl 2-bromo-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 146273918
tert-butyl N-(2-chloro-4-fluoro-5-methylphenyl)carbamate
CID 130520747
tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate
CID 22288328

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate?
The IUPAC name of tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate (CID 10609921) is tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate is Cc1cc(NC(=O)OC(C)(C)C)c(C)cc1O.
What is the InChIKey of tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate?
The InChIKey is HYAXOCCNXTUFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8-7-11(15)9(2)6-10(8)14-12(16)17-13(3,4)5/h6-7,15H,1-5H3,(H,14,16).
What are the key properties of tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate?
tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate has a molecular weight of 237.30 g/mol, XLogP of 3.36, 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-2,5-dimethylphenyl)carbamate is sourced from PubChem (CID 10609921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).