1-bromo-3-(1-chloro-2-phenylpropyl)benzene

C15H14BrCl — CID 91188236

IUPAC1-bromo-3-(1-chloro-2-phenylpropyl)benzene
SMILESCC(c1ccccc1)C(Cl)c1cccc(Br)c1
InChIInChI=1S/C15H14BrCl/c1-11(12-6-3-2-4-7-12)15(17)13-8-5-9-14(16)10-13/h2-11,15H,1H3
InChIKeyNVFRHBFOKLBTOU-UHFFFAOYSA-N
MW309.63 g/mol
LogP5.53
Rot. Bonds3

About 1-bromo-3-(1-chloro-2-phenylpropyl)benzene

1-bromo-3-(1-chloro-2-phenylpropyl)benzene (PubChem CID 91188236) has the molecular formula C15H14BrCl and a molecular weight of 309.63 g/mol. Its IUPAC name is 1-bromo-3-(1-chloro-2-phenylpropyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(1-chloro-2-phenylpropyl)benzene
PubChem CID91188236
Molecular FormulaC15H14BrCl
Molecular Weight309.63 g/mol
Exact Mass308.00
IUPAC Name1-bromo-3-(1-chloro-2-phenylpropyl)benzene
SMILESCC(c1ccccc1)C(Cl)c1cccc(Br)c1
InChIInChI=1S/C15H14BrCl/c1-11(12-6-3-2-4-7-12)15(17)13-8-5-9-14(16)10-13/h2-11,15H,1H3
InChIKeyNVFRHBFOKLBTOU-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.63
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(1-chloro-2-phenylpropyl)-1-fluoro-2-methylbenzene
CID 114028911
2-(3-bromophenyl)-3-methylbutanoic acid
CID 23317028
3-(3-bromophenyl)-2-methylbutanoic acid
CID 130820149
1-bromo-3-(1-fluoroethyl)benzene;ethane
CID 143612621
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
1-bromo-3-[phenyl(thionitroso)methyl]benzene
CID 89290809
4-[1-bromo-1-(3-bromophenyl)propan-2-yl]pyridine
CID 66453944
1-bromo-3-(2-bromo-1-phenylethyl)benzene
CID 151109917
4-[1-chloro-1-(3-methylphenyl)propan-2-yl]pyridine
CID 66459346
3-(3-bromophenyl)-2-fluorobutanoic acid
CID 130820150
1-bromo-3-[1-(1-phenylethoxy)propan-2-yl]benzene
CID 174259329
4-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine
CID 66460565

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(1-chloro-2-phenylpropyl)benzene?
The IUPAC name of 1-bromo-3-(1-chloro-2-phenylpropyl)benzene (CID 91188236) is 1-bromo-3-(1-chloro-2-phenylpropyl)benzene.
What is the SMILES notation for 1-bromo-3-(1-chloro-2-phenylpropyl)benzene?
The canonical SMILES for 1-bromo-3-(1-chloro-2-phenylpropyl)benzene is CC(c1ccccc1)C(Cl)c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(1-chloro-2-phenylpropyl)benzene?
The InChIKey is NVFRHBFOKLBTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl/c1-11(12-6-3-2-4-7-12)15(17)13-8-5-9-14(16)10-13/h2-11,15H,1H3.
What are the key properties of 1-bromo-3-(1-chloro-2-phenylpropyl)benzene?
1-bromo-3-(1-chloro-2-phenylpropyl)benzene has a molecular weight of 309.63 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(1-chloro-2-phenylpropyl)benzene is sourced from PubChem (CID 91188236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).