1-(3-hydroxyphenyl)-3-propylurea

• ChemBase ID: 269058
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(Nc1cc(O)ccc1)NCCC
• Canonical SMILES: CCCNC(=O)Nc1cccc(c1)O
• InChI: InChI=1S/C10H14N2O2/c1-2-6-11-10(14)12-8-4-3-5-9(13)7-8/h3-5,7,13H,2,6H2,1H3,(H2,11,12,14)
• InChIKey: FSZIEBLZDZPOPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-hydroxyphenyl)-3-propylurea
• IUPAC Traditional name: 1-(3-hydroxyphenyl)-3-propylurea
• Synonyms: 1-(3-hydroxyphenyl)-3-propylurea

Database IDs

• MDL Number: MFCD11172378
• PubChem SID: 164324968
• PubChem CID: 28787674

CALCULATED PROPERTIES

• Acid pKa: 9.212711
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 1.6767681
• LogD (pH = 7.4): 1.6702588
• Log P: 1.6768517
• Molar Refractivity: 55.7479 cm^3
• Polarizability: 20.636126 Å^3
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.492

Product Information

• Purity: 95%