2-(4-phenoxyphenoxy)ethyl carbamate

C15H15NO4 — CID 18752386

IUPAC2-(4-phenoxyphenoxy)ethyl carbamate
SMILESNC(=O)OCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H15NO4/c16-15(17)19-11-10-18-12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,16,17)
InChIKeyWUJKHYGADVJFTE-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.95
Rot. Bonds6

About 2-(4-phenoxyphenoxy)ethyl carbamate

2-(4-phenoxyphenoxy)ethyl carbamate (PubChem CID 18752386) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(4-phenoxyphenoxy)ethyl carbamate.

Molecular Properties

Compound Name2-(4-phenoxyphenoxy)ethyl carbamate
PubChem CID18752386
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-(4-phenoxyphenoxy)ethyl carbamate
SMILESNC(=O)OCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H15NO4/c16-15(17)19-11-10-18-12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,16,17)
InChIKeyWUJKHYGADVJFTE-UHFFFAOYSA-N
XLogP2.95
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenoxy)ethyl carbamate?
The IUPAC name of 2-(4-phenoxyphenoxy)ethyl carbamate (CID 18752386) is 2-(4-phenoxyphenoxy)ethyl carbamate.
What is the SMILES notation for 2-(4-phenoxyphenoxy)ethyl carbamate?
The canonical SMILES for 2-(4-phenoxyphenoxy)ethyl carbamate is NC(=O)OCCOc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenoxyphenoxy)ethyl carbamate?
The InChIKey is WUJKHYGADVJFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c16-15(17)19-11-10-18-12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,16,17).
What are the key properties of 2-(4-phenoxyphenoxy)ethyl carbamate?
2-(4-phenoxyphenoxy)ethyl carbamate has a molecular weight of 273.29 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenoxy)ethyl carbamate is sourced from PubChem (CID 18752386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).