1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene

C15H13Br2Cl — CID 79435566

IUPAC1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene
SMILESClCC(Cc1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H13Br2Cl/c16-14-5-1-11(2-6-14)9-13(10-18)12-3-7-15(17)8-4-12/h1-8,13H,9-10H2
InChIKeyOXLIYRZTSYOBJG-UHFFFAOYSA-N
MW388.53 g/mol
LogP5.78
Rot. Bonds4

About 1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene

1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene (PubChem CID 79435566) has the molecular formula C15H13Br2Cl and a molecular weight of 388.53 g/mol. Its IUPAC name is 1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene.

Molecular Properties

Compound Name1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene
PubChem CID79435566
Molecular FormulaC15H13Br2Cl
Molecular Weight388.53 g/mol
Exact Mass385.91
IUPAC Name1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene
SMILESClCC(Cc1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H13Br2Cl/c16-14-5-1-11(2-6-14)9-13(10-18)12-3-7-15(17)8-4-12/h1-8,13H,9-10H2
InChIKeyOXLIYRZTSYOBJG-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.53
LogP ≤ 55.78
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-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene
CID 79434869
1-bromo-4-[1-chloro-3-(3-methoxyphenyl)propan-2-yl]benzene
CID 79434768
2-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]thiophene
CID 79435351
4-bromo-2-[2-(4-bromophenyl)-3-chloropropyl]thiophene
CID 79434241
1-bromo-4-(2,3-dichloropropyl)benzene
CID 86177885
1-[3-chloro-2-(4-methylphenyl)propyl]-4-propan-2-ylbenzene
CID 79436182
3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438156
2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine
CID 79441901
2-(4-bromophenyl)-3-(4-methylphenyl)propan-1-amine
CID 79442413
2-[2-(4-bromophenyl)-3-chloropropyl]-1,4-dimethylbenzene
CID 79434130
1-bromo-3-[2-(4-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene
CID 106273846
3-(4-bromophenyl)-2-phenylpropan-1-amine
CID 65429656

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene?
The IUPAC name of 1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene (CID 79435566) is 1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene.
What is the SMILES notation for 1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene?
The canonical SMILES for 1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene is ClCC(Cc1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene?
The InChIKey is OXLIYRZTSYOBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2Cl/c16-14-5-1-11(2-6-14)9-13(10-18)12-3-7-15(17)8-4-12/h1-8,13H,9-10H2.
What are the key properties of 1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene?
1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene has a molecular weight of 388.53 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene is sourced from PubChem (CID 79435566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).