tert-butyl N-(2-ethyl-4-hydroxyphenyl)carbamate

C13H19NO3 — CID 143575571

IUPACtert-butyl N-(2-ethyl-4-hydroxyphenyl)carbamate
SMILESCCc1cc(O)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H19NO3/c1-5-9-8-10(15)6-7-11(9)14-12(16)17-13(2,3)4/h6-8,15H,5H2,1-4H3,(H,14,16)
InChIKeyKIRUDMQHEPYQAD-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.30
Rot. Bonds2

About tert-butyl N-(2-ethyl-4-hydroxyphenyl)carbamate

tert-butyl N-(2-ethyl-4-hydroxyphenyl)carbamate (PubChem CID 143575571) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-(2-ethyl-4-hydroxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-ethyl-4-hydroxyphenyl)carbamate
PubChem CID143575571
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nametert-butyl N-(2-ethyl-4-hydroxyphenyl)carbamate
SMILESCCc1cc(O)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H19NO3/c1-5-9-8-10(15)6-7-11(9)14-12(16)17-13(2,3)4/h6-8,15H,5H2,1-4H3,(H,14,16)
InChIKeyKIRUDMQHEPYQAD-UHFFFAOYSA-N
XLogP3.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.30
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-(2-chloro-4-hydroxyphenyl)carbamate
CID 54121498
tert-butyl N-[2-(bromomethyl)-5-hydroxyphenyl]carbamate
CID 117236595
tert-butyl N-[4-[[2-(4-hydroxyphenyl)-2-oxoethyl]amino]-2-propylphenyl]carbamate
CID 166741342
tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate
CID 68583241
tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate
CID 152536591
CID 123218119
CID 123218119
tert-butyl N-[4-chloro-2-(chloromethyl)phenyl]carbamate
CID 117236568
N-(2-ethyl-4-hydroxyphenyl)butanamide
CID 143294453
tert-butyl N-[4-iodo-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamate
CID 134814577
tert-butyl N-(2-acetyl-4-methylphenyl)carbamate
CID 143444258
tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
CID 65142813
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-ethyl-4-hydroxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-ethyl-4-hydroxyphenyl)carbamate (CID 143575571) is tert-butyl N-(2-ethyl-4-hydroxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-ethyl-4-hydroxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-ethyl-4-hydroxyphenyl)carbamate is CCc1cc(O)ccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-ethyl-4-hydroxyphenyl)carbamate?
The InChIKey is KIRUDMQHEPYQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-5-9-8-10(15)6-7-11(9)14-12(16)17-13(2,3)4/h6-8,15H,5H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-(2-ethyl-4-hydroxyphenyl)carbamate?
tert-butyl N-(2-ethyl-4-hydroxyphenyl)carbamate has a molecular weight of 237.30 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-ethyl-4-hydroxyphenyl)carbamate is sourced from PubChem (CID 143575571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).