(4-ethoxyphenyl)urea

C9H12N2O2 — CID 9013

IUPAC(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(N)=O)cc1
InChIInChI=1S/C9H12N2O2/c1-2-13-8-5-3-7(4-6-8)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)
InChIKeyGGLIEWRLXDLBBF-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.58
Rot. Bonds3

About (4-ethoxyphenyl)urea

(4-ethoxyphenyl)urea (PubChem CID 9013) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (4-ethoxyphenyl)urea.

Molecular Properties

Compound Name(4-ethoxyphenyl)urea
PubChem CID9013
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(N)=O)cc1
InChIInChI=1S/C9H12N2O2/c1-2-13-8-5-3-7(4-6-8)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)
InChIKeyGGLIEWRLXDLBBF-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)urea?
The IUPAC name of (4-ethoxyphenyl)urea (CID 9013) is (4-ethoxyphenyl)urea.
What is the SMILES notation for (4-ethoxyphenyl)urea?
The canonical SMILES for (4-ethoxyphenyl)urea is CCOc1ccc(NC(N)=O)cc1.
What is the InChIKey of (4-ethoxyphenyl)urea?
The InChIKey is GGLIEWRLXDLBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-13-8-5-3-7(4-6-8)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12).
What are the key properties of (4-ethoxyphenyl)urea?
(4-ethoxyphenyl)urea has a molecular weight of 180.21 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)urea is sourced from PubChem (CID 9013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).