1-bromo-4-(pentyloxy)benzene

• ChemBase ID: 295256
• Molecular Formular: C11H15BrO
• Molecular Mass: 243.1402
• Monoisotopic Mass: 242.0306271
• SMILES: CCCCCOc1ccc(cc1)Br
• Canonical SMILES: CCCCCOc1ccc(cc1)Br
• InChI: InChI=1S/C11H15BrO/c1-2-3-4-9-13-11-7-5-10(12)6-8-11/h5-8H,2-4,9H2,1H3
• InChIKey: ILLQRHZDICIFRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-(pentyloxy)benzene
• IUPAC Traditional name: 1-bromo-4-(pentyloxy)benzene
• Synonyms: 4-Bromphenyl n-pentyl ether; 4-n-Pentyloxybromobenzene; 1-Bromo-4-(n-pentyloxy)benzene; 1-溴-4-正戊氧基苯

Database IDs

• CAS Number: 30752-18-2
• MDL Number: MFCD00156123
• PubChem SID: 180680787
• PubChem CID: 7016905

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3527946
• LogD (pH = 7.4): 4.3527946
• Log P: 4.3527946
• Molar Refractivity: 58.6186 cm^3
• Polarizability: 22.929781 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否