1-(3-bromo-3-phenylpropyl)-4-chlorobenzene

C15H14BrCl — CID 63472364

IUPAC1-(3-bromo-3-phenylpropyl)-4-chlorobenzene
SMILESClc1ccc(CCC(Br)c2ccccc2)cc1
InChIInChI=1S/C15H14BrCl/c16-15(13-4-2-1-3-5-13)11-8-12-6-9-14(17)10-7-12/h1-7,9-10,15H,8,11H2
InChIKeyQOPWPPSHYOVHAF-UHFFFAOYSA-N
MW309.63 g/mol
LogP5.41
Rot. Bonds4

About 1-(3-bromo-3-phenylpropyl)-4-chlorobenzene

1-(3-bromo-3-phenylpropyl)-4-chlorobenzene (PubChem CID 63472364) has the molecular formula C15H14BrCl and a molecular weight of 309.63 g/mol. Its IUPAC name is 1-(3-bromo-3-phenylpropyl)-4-chlorobenzene.

Molecular Properties

Compound Name1-(3-bromo-3-phenylpropyl)-4-chlorobenzene
PubChem CID63472364
Molecular FormulaC15H14BrCl
Molecular Weight309.63 g/mol
Exact Mass308.00
IUPAC Name1-(3-bromo-3-phenylpropyl)-4-chlorobenzene
SMILESClc1ccc(CCC(Br)c2ccccc2)cc1
InChIInChI=1S/C15H14BrCl/c16-15(13-4-2-1-3-5-13)11-8-12-6-9-14(17)10-7-12/h1-7,9-10,15H,8,11H2
InChIKeyQOPWPPSHYOVHAF-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.63
LogP ≤ 55.41
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

1-bromo-4-(3-bromo-3-phenylpropyl)benzene
CID 63471599
1-(3-bromo-3-phenylpropyl)-4-iodobenzene
CID 65476727
1-chloro-4-[(3S)-3-phenylbutyl]benzene
CID 174392124
2-(3-bromo-3-phenylpropyl)-4-chloro-1-fluorobenzene
CID 103049485
5-(3-bromo-3-phenylpropyl)pyrimidine
CID 64507442
4-(4-bromo-4-phenylbutyl)-1,2-dichlorobenzene
CID 64506775
2-(3-bromo-3-phenylpropyl)-1,4-difluorobenzene
CID 55192833
1-[(1S)-1-bromo-3-chloropropyl]-4-chlorobenzene
CID 99639334
1-(4-bromo-4-phenylbutyl)-4-chloro-2-fluorobenzene
CID 114860167
1-(3-bromopentyl)-4-chlorobenzene
CID 63470473
2-[2-(4-chlorophenyl)ethyl]-4-phenylbutanoic acid
CID 70553032
1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642290

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-3-phenylpropyl)-4-chlorobenzene?
The IUPAC name of 1-(3-bromo-3-phenylpropyl)-4-chlorobenzene (CID 63472364) is 1-(3-bromo-3-phenylpropyl)-4-chlorobenzene.
What is the SMILES notation for 1-(3-bromo-3-phenylpropyl)-4-chlorobenzene?
The canonical SMILES for 1-(3-bromo-3-phenylpropyl)-4-chlorobenzene is Clc1ccc(CCC(Br)c2ccccc2)cc1.
What is the InChIKey of 1-(3-bromo-3-phenylpropyl)-4-chlorobenzene?
The InChIKey is QOPWPPSHYOVHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl/c16-15(13-4-2-1-3-5-13)11-8-12-6-9-14(17)10-7-12/h1-7,9-10,15H,8,11H2.
What are the key properties of 1-(3-bromo-3-phenylpropyl)-4-chlorobenzene?
1-(3-bromo-3-phenylpropyl)-4-chlorobenzene has a molecular weight of 309.63 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-3-phenylpropyl)-4-chlorobenzene is sourced from PubChem (CID 63472364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).