tert-butyl N-(2-hydroxy-2-phenylethyl)carbamate

C13H19NO3 — CID 9816137

IUPACtert-butyl N-(2-hydroxy-2-phenylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(C1=CC=CC=C1)O
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-9-11(15)10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H,14,16)
InChIKeyFSRZPRRAZVZKFE-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.80
Rot. Bonds5

About tert-butyl N-(2-hydroxy-2-phenylethyl)carbamate

tert-butyl N-(2-hydroxy-2-phenylethyl)carbamate (PubChem CID 9816137) has the molecular formula C13H19NO3 and a molecular weight of 237.29 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxy-2-phenylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxy-2-phenylethyl)carbamate
PubChem CID9816137
Molecular FormulaC13H19NO3
Molecular Weight237.29 g/mol
Exact Mass237.14
IUPAC Nametert-butyl N-(2-hydroxy-2-phenylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(C1=CC=CC=C1)O
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-9-11(15)10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H,14,16)
InChIKeyFSRZPRRAZVZKFE-UHFFFAOYSA-N
XLogP1.80
TPSA58.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity242

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxy-2-phenylethyl)carbamate?
The IUPAC name of tert-butyl N-(2-hydroxy-2-phenylethyl)carbamate (CID 9816137) is tert-butyl N-(2-hydroxy-2-phenylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxy-2-phenylethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxy-2-phenylethyl)carbamate is CC(C)(C)OC(=O)NCC(C1=CC=CC=C1)O.
What is the InChIKey of tert-butyl N-(2-hydroxy-2-phenylethyl)carbamate?
The InChIKey is FSRZPRRAZVZKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-9-11(15)10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-(2-hydroxy-2-phenylethyl)carbamate?
tert-butyl N-(2-hydroxy-2-phenylethyl)carbamate has a molecular weight of 237.29 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxy-2-phenylethyl)carbamate is sourced from PubChem (CID 9816137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).