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

C15H13BrClFO — CID 114267870

IUPAC1-(3-bromo-2-phenylpropoxy)-4-chloro-2-fluorobenzene
SMILESFc1cc(Cl)ccc1OCC(CBr)c1ccccc1
InChIInChI=1S/C15H13BrClFO/c16-9-12(11-4-2-1-3-5-11)10-19-15-7-6-13(17)8-14(15)18/h1-8,12H,9-10H2
InChIKeyUKYBPVOSSQVVCO-UHFFFAOYSA-N
MW343.62 g/mol
LogP5.04
Rot. Bonds5

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

1-(3-bromo-2-phenylpropoxy)-4-chloro-2-fluorobenzene (PubChem CID 114267870) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 1-(3-bromo-2-phenylpropoxy)-4-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-(3-bromo-2-phenylpropoxy)-4-chloro-2-fluorobenzene
PubChem CID114267870
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name1-(3-bromo-2-phenylpropoxy)-4-chloro-2-fluorobenzene
SMILESFc1cc(Cl)ccc1OCC(CBr)c1ccccc1
InChIInChI=1S/C15H13BrClFO/c16-9-12(11-4-2-1-3-5-11)10-19-15-7-6-13(17)8-14(15)18/h1-8,12H,9-10H2
InChIKeyUKYBPVOSSQVVCO-UHFFFAOYSA-N
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.62
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(3-bromo-2-phenylpropoxy)-4-fluorobenzene
CID 65015891
4-(3-bromo-2-phenylpropoxy)-1,2-difluorobenzene
CID 65015849
1-bromo-4-(3-bromo-2-phenylpropoxy)-2-fluorobenzene
CID 65203700
1-(3-bromo-2-phenylpropoxy)naphthalene
CID 65014508
1-(4-chloro-2-fluorophenoxy)propan-2-amine
CID 83396709
2-(3-bromo-2-phenylpropoxy)-1-chloro-4-nitrobenzene
CID 65016067
1-[(3-bromo-2-phenylpropoxy)methyl]-3-chlorobenzene
CID 65124851
4-chloro-2-fluoro-1-(fluoromethoxy)benzene
CID 67335232
1-[4-(3-bromo-2-phenylpropoxy)-2-fluorophenyl]ethanone
CID 107715571
1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene
CID 146004192
1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene
CID 114862057
1-(3-bromo-2-phenylpropoxy)-3-iodobenzene
CID 65015847

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-phenylpropoxy)-4-chloro-2-fluorobenzene?
The IUPAC name of 1-(3-bromo-2-phenylpropoxy)-4-chloro-2-fluorobenzene (CID 114267870) is 1-(3-bromo-2-phenylpropoxy)-4-chloro-2-fluorobenzene.
What is the SMILES notation for 1-(3-bromo-2-phenylpropoxy)-4-chloro-2-fluorobenzene?
The canonical SMILES for 1-(3-bromo-2-phenylpropoxy)-4-chloro-2-fluorobenzene is Fc1cc(Cl)ccc1OCC(CBr)c1ccccc1.
What is the InChIKey of 1-(3-bromo-2-phenylpropoxy)-4-chloro-2-fluorobenzene?
The InChIKey is UKYBPVOSSQVVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c16-9-12(11-4-2-1-3-5-11)10-19-15-7-6-13(17)8-14(15)18/h1-8,12H,9-10H2.
What are the key properties of 1-(3-bromo-2-phenylpropoxy)-4-chloro-2-fluorobenzene?
1-(3-bromo-2-phenylpropoxy)-4-chloro-2-fluorobenzene has a molecular weight of 343.62 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-phenylpropoxy)-4-chloro-2-fluorobenzene is sourced from PubChem (CID 114267870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).