2-bromo-1-fluoro-4-(3-phenoxypropoxy)benzene

C15H14BrFO2 — CID 83231410

IUPAC2-bromo-1-fluoro-4-(3-phenoxypropoxy)benzene
SMILESFc1ccc(OCCCOc2ccccc2)cc1Br
InChIInChI=1S/C15H14BrFO2/c16-14-11-13(7-8-15(14)17)19-10-4-9-18-12-5-2-1-3-6-12/h1-3,5-8,11H,4,9-10H2
InChIKeyXBHFCRCIECVGNZ-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.44
Rot. Bonds6

About 2-bromo-1-fluoro-4-(3-phenoxypropoxy)benzene

2-bromo-1-fluoro-4-(3-phenoxypropoxy)benzene (PubChem CID 83231410) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is 2-bromo-1-fluoro-4-(3-phenoxypropoxy)benzene.

Molecular Properties

Compound Name2-bromo-1-fluoro-4-(3-phenoxypropoxy)benzene
PubChem CID83231410
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name2-bromo-1-fluoro-4-(3-phenoxypropoxy)benzene
SMILESFc1ccc(OCCCOc2ccccc2)cc1Br
InChIInChI=1S/C15H14BrFO2/c16-14-11-13(7-8-15(14)17)19-10-4-9-18-12-5-2-1-3-6-12/h1-3,5-8,11H,4,9-10H2
InChIKeyXBHFCRCIECVGNZ-UHFFFAOYSA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 83232381
3-(3-bromo-4-fluorophenoxy)propane-1-thiol
CID 83238330
2-bromo-1-fluoro-4-(4-methoxybutoxy)benzene
CID 115903983
2-bromo-1-fluoro-4-phenoxybenzene
CID 71774083
3-[2-(3-bromo-4-fluorophenoxy)ethoxy]benzoic acid
CID 83231309
4-(3-bromo-4-fluorophenoxy)-N-methylbutan-1-amine
CID 83234496
N-[(3-bromo-4-fluorophenyl)methyl]-3-phenoxypropan-1-amine
CID 60691659
2-bromo-4-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 83232064
3-(3-bromo-4-fluorophenoxy)propane-1-sulfonyl chloride
CID 83235024
2-[2-(3-bromo-4-fluorophenoxy)ethoxy]ethanol
CID 83236273
4-(3-bromo-4-fluorophenoxy)butane-1-sulfonyl chloride
CID 83234939
2-(3-bromo-4-fluorophenoxy)acetic acid
CID 83231542

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-4-(3-phenoxypropoxy)benzene?
The IUPAC name of 2-bromo-1-fluoro-4-(3-phenoxypropoxy)benzene (CID 83231410) is 2-bromo-1-fluoro-4-(3-phenoxypropoxy)benzene.
What is the SMILES notation for 2-bromo-1-fluoro-4-(3-phenoxypropoxy)benzene?
The canonical SMILES for 2-bromo-1-fluoro-4-(3-phenoxypropoxy)benzene is Fc1ccc(OCCCOc2ccccc2)cc1Br.
What is the InChIKey of 2-bromo-1-fluoro-4-(3-phenoxypropoxy)benzene?
The InChIKey is XBHFCRCIECVGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c16-14-11-13(7-8-15(14)17)19-10-4-9-18-12-5-2-1-3-6-12/h1-3,5-8,11H,4,9-10H2.
What are the key properties of 2-bromo-1-fluoro-4-(3-phenoxypropoxy)benzene?
2-bromo-1-fluoro-4-(3-phenoxypropoxy)benzene has a molecular weight of 325.18 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-fluoro-4-(3-phenoxypropoxy)benzene is sourced from PubChem (CID 83231410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).