tert-butyl N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]carbamate

C13H19NO4 — CID 15631602

IUPACtert-butyl N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)c1ccc(O)cc1
InChIInChI=1S/C13H19NO4/c1-13(2,3)18-12(17)14-8-11(16)9-4-6-10(15)7-5-9/h4-7,11,15-16H,8H2,1-3H3,(H,14,17)
InChIKeyYGJBWOOFDAKLIF-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.95
Rot. Bonds3

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

tert-butyl N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]carbamate (PubChem CID 15631602) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is tert-butyl N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]carbamate
PubChem CID15631602
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nametert-butyl N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)c1ccc(O)cc1
InChIInChI=1S/C13H19NO4/c1-13(2,3)18-12(17)14-8-11(16)9-4-6-10(15)7-5-9/h4-7,11,15-16H,8H2,1-3H3,(H,14,17)
InChIKeyYGJBWOOFDAKLIF-UHFFFAOYSA-N
XLogP1.95
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]carbamate (CID 15631602) is tert-butyl N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]carbamate is CC(C)(C)OC(=O)NCC(O)c1ccc(O)cc1.
What is the InChIKey of tert-butyl N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]carbamate?
The InChIKey is YGJBWOOFDAKLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-13(2,3)18-12(17)14-8-11(16)9-4-6-10(15)7-5-9/h4-7,11,15-16H,8H2,1-3H3,(H,14,17).
What are the key properties of tert-butyl N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]carbamate?
tert-butyl N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]carbamate has a molecular weight of 253.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]carbamate is sourced from PubChem (CID 15631602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).