2-bromo-1-(3-bromo-2-phenylpropoxy)-4-fluorobenzene

C15H13Br2FO — CID 65015891

IUPAC2-bromo-1-(3-bromo-2-phenylpropoxy)-4-fluorobenzene
SMILESFc1ccc(OCC(CBr)c2ccccc2)c(Br)c1
InChIInChI=1S/C15H13Br2FO/c16-9-12(11-4-2-1-3-5-11)10-19-15-7-6-13(18)8-14(15)17/h1-8,12H,9-10H2
InChIKeyXZDJBMVYOGTZAJ-UHFFFAOYSA-N
MW388.07 g/mol
LogP5.15
Rot. Bonds5

About 2-bromo-1-(3-bromo-2-phenylpropoxy)-4-fluorobenzene

2-bromo-1-(3-bromo-2-phenylpropoxy)-4-fluorobenzene (PubChem CID 65015891) has the molecular formula C15H13Br2FO and a molecular weight of 388.07 g/mol. Its IUPAC name is 2-bromo-1-(3-bromo-2-phenylpropoxy)-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-(3-bromo-2-phenylpropoxy)-4-fluorobenzene
PubChem CID65015891
Molecular FormulaC15H13Br2FO
Molecular Weight388.07 g/mol
Exact Mass385.93
IUPAC Name2-bromo-1-(3-bromo-2-phenylpropoxy)-4-fluorobenzene
SMILESFc1ccc(OCC(CBr)c2ccccc2)c(Br)c1
InChIInChI=1S/C15H13Br2FO/c16-9-12(11-4-2-1-3-5-11)10-19-15-7-6-13(18)8-14(15)17/h1-8,12H,9-10H2
InChIKeyXZDJBMVYOGTZAJ-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.07
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-1-(3-bromo-2-phenylpropoxy)-4-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-2-phenylpropoxy)-4-chloro-2-fluorobenzene
CID 114267870
1-bromo-4-(3-bromo-2-phenylpropoxy)-2-fluorobenzene
CID 65203700
1-(3-bromo-2-phenylpropoxy)naphthalene
CID 65014508
3-(2-bromophenoxy)-2-phenylpropan-1-amine
CID 117242959
4-(3-bromo-2-phenylpropoxy)-1,2-difluorobenzene
CID 65015849
1-(2-bromo-4-fluorophenoxy)butan-2-ol
CID 60880483
3-(2-bromo-4-fluorophenoxy)-2-methylpropan-1-amine
CID 43531039
3-(5-fluoro-2-methylphenoxy)-2-phenylpropane-1-thiol
CID 102988842
1-(3-bromo-2-phenylpropoxy)-4-ethylbenzene
CID 65014507
2-(2-bromo-4-fluorophenoxy)ethanamine
CID 22688771
5-fluoro-2-(2-hydroxy-2-phenylethoxy)benzoic acid
CID 115298042
1-(3-bromo-2-phenylpropoxy)-3-iodobenzene
CID 65015847

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-bromo-2-phenylpropoxy)-4-fluorobenzene?
The IUPAC name of 2-bromo-1-(3-bromo-2-phenylpropoxy)-4-fluorobenzene (CID 65015891) is 2-bromo-1-(3-bromo-2-phenylpropoxy)-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1-(3-bromo-2-phenylpropoxy)-4-fluorobenzene?
The canonical SMILES for 2-bromo-1-(3-bromo-2-phenylpropoxy)-4-fluorobenzene is Fc1ccc(OCC(CBr)c2ccccc2)c(Br)c1.
What is the InChIKey of 2-bromo-1-(3-bromo-2-phenylpropoxy)-4-fluorobenzene?
The InChIKey is XZDJBMVYOGTZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FO/c16-9-12(11-4-2-1-3-5-11)10-19-15-7-6-13(18)8-14(15)17/h1-8,12H,9-10H2.
What are the key properties of 2-bromo-1-(3-bromo-2-phenylpropoxy)-4-fluorobenzene?
2-bromo-1-(3-bromo-2-phenylpropoxy)-4-fluorobenzene has a molecular weight of 388.07 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-bromo-2-phenylpropoxy)-4-fluorobenzene is sourced from PubChem (CID 65015891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).