[2-(4-methoxyphenyl)ethyl]urea

• ChemBase ID: 267731
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(NCCc1ccc(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1)CCNC(=O)N
• InChI: InChI=1S/C10H14N2O2/c1-14-9-4-2-8(3-5-9)6-7-12-10(11)13/h2-5H,6-7H2,1H3,(H3,11,12,13)
• InChIKey: HMHATGJEFZCVSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-methoxyphenyl)ethyl]urea
• IUPAC Traditional name: 2-(4-methoxyphenyl)ethylurea
• Synonyms: [2-(4-methoxyphenyl)ethyl]urea

Database IDs

• MDL Number: MFCD01675975
• PubChem SID: 164323641
• PubChem CID: 202953

CALCULATED PROPERTIES

• Acid pKa: 15.135795
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.71530527
• LogD (pH = 7.4): 0.71530527
• Log P: 0.71530527
• Molar Refractivity: 53.8701 cm^3
• Polarizability: 20.717634 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.712

Product Information

• Purity: 95%