2-(4-hydroxyphenyl)ethyl N-benzylcarbamate

C16H17NO3 — CID 71582878

IUPAC2-(4-hydroxyphenyl)ethyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OCCc1ccc(O)cc1
InChIInChI=1S/C16H17NO3/c18-15-8-6-13(7-9-15)10-11-20-16(19)17-12-14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H,17,19)
InChIKeyNNIUWHXPDCSQJU-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.86
Rot. Bonds5

About 2-(4-hydroxyphenyl)ethyl N-benzylcarbamate

2-(4-hydroxyphenyl)ethyl N-benzylcarbamate (PubChem CID 71582878) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)ethyl N-benzylcarbamate.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)ethyl N-benzylcarbamate
PubChem CID71582878
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(4-hydroxyphenyl)ethyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OCCc1ccc(O)cc1
InChIInChI=1S/C16H17NO3/c18-15-8-6-13(7-9-15)10-11-20-16(19)17-12-14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H,17,19)
InChIKeyNNIUWHXPDCSQJU-UHFFFAOYSA-N
XLogP2.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)ethyl N-benzylcarbamate?
The IUPAC name of 2-(4-hydroxyphenyl)ethyl N-benzylcarbamate (CID 71582878) is 2-(4-hydroxyphenyl)ethyl N-benzylcarbamate.
What is the SMILES notation for 2-(4-hydroxyphenyl)ethyl N-benzylcarbamate?
The canonical SMILES for 2-(4-hydroxyphenyl)ethyl N-benzylcarbamate is O=C(NCc1ccccc1)OCCc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)ethyl N-benzylcarbamate?
The InChIKey is NNIUWHXPDCSQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-15-8-6-13(7-9-15)10-11-20-16(19)17-12-14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H,17,19).
What are the key properties of 2-(4-hydroxyphenyl)ethyl N-benzylcarbamate?
2-(4-hydroxyphenyl)ethyl N-benzylcarbamate has a molecular weight of 271.32 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)ethyl N-benzylcarbamate is sourced from PubChem (CID 71582878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).