2-(2,6-dichlorophenoxy)ethylurea

C9H10Cl2N2O2 — CID 3025280

IUPAC2-(2,6-dichlorophenoxy)ethylurea
SMILESNC(=O)NCCOc1c(Cl)cccc1Cl
InChIInChI=1S/C9H10Cl2N2O2/c10-6-2-1-3-7(11)8(6)15-5-4-13-9(12)14/h1-3H,4-5H2,(H3,12,13,14)
InChIKeyDNGGVVZOBSEDOT-UHFFFAOYSA-N
MW249.10 g/mol
LogP2.04
Rot. Bonds4

About 2-(2,6-dichlorophenoxy)ethylurea

2-(2,6-dichlorophenoxy)ethylurea (PubChem CID 3025280) has the molecular formula C9H10Cl2N2O2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 2-(2,6-dichlorophenoxy)ethylurea.

Molecular Properties

Compound Name2-(2,6-dichlorophenoxy)ethylurea
PubChem CID3025280
Molecular FormulaC9H10Cl2N2O2
Molecular Weight249.10 g/mol
Exact Mass248.01
IUPAC Name2-(2,6-dichlorophenoxy)ethylurea
SMILESNC(=O)NCCOc1c(Cl)cccc1Cl
InChIInChI=1S/C9H10Cl2N2O2/c10-6-2-1-3-7(11)8(6)15-5-4-13-9(12)14/h1-3H,4-5H2,(H3,12,13,14)
InChIKeyDNGGVVZOBSEDOT-UHFFFAOYSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2,6-dichlorophenoxy)ethylurea?
The IUPAC name of 2-(2,6-dichlorophenoxy)ethylurea (CID 3025280) is 2-(2,6-dichlorophenoxy)ethylurea.
What is the SMILES notation for 2-(2,6-dichlorophenoxy)ethylurea?
The canonical SMILES for 2-(2,6-dichlorophenoxy)ethylurea is NC(=O)NCCOc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenoxy)ethylurea?
The InChIKey is DNGGVVZOBSEDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2/c10-6-2-1-3-7(11)8(6)15-5-4-13-9(12)14/h1-3H,4-5H2,(H3,12,13,14).
What are the key properties of 2-(2,6-dichlorophenoxy)ethylurea?
2-(2,6-dichlorophenoxy)ethylurea has a molecular weight of 249.10 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenoxy)ethylurea is sourced from PubChem (CID 3025280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).