6-bromo-3-(4-chlorophenyl)-1,2-dihydronaphthalene

C16H12BrCl — CID 167038414

IUPAC6-bromo-3-(4-chlorophenyl)-1,2-dihydronaphthalene
SMILESClc1ccc(C2=Cc3cc(Br)ccc3CC2)cc1
InChIInChI=1S/C16H12BrCl/c17-15-6-3-12-1-2-13(9-14(12)10-15)11-4-7-16(18)8-5-11/h3-10H,1-2H2
InChIKeySWDXPFJQPFJHCK-UHFFFAOYSA-N
MW319.63 g/mol
LogP5.59
Rot. Bonds1

About 6-bromo-3-(4-chlorophenyl)-1,2-dihydronaphthalene

6-bromo-3-(4-chlorophenyl)-1,2-dihydronaphthalene (PubChem CID 167038414) has the molecular formula C16H12BrCl and a molecular weight of 319.63 g/mol. Its IUPAC name is 6-bromo-3-(4-chlorophenyl)-1,2-dihydronaphthalene.

Molecular Properties

Compound Name6-bromo-3-(4-chlorophenyl)-1,2-dihydronaphthalene
PubChem CID167038414
Molecular FormulaC16H12BrCl
Molecular Weight319.63 g/mol
Exact Mass317.98
IUPAC Name6-bromo-3-(4-chlorophenyl)-1,2-dihydronaphthalene
SMILESClc1ccc(C2=Cc3cc(Br)ccc3CC2)cc1
InChIInChI=1S/C16H12BrCl/c17-15-6-3-12-1-2-13(9-14(12)10-15)11-4-7-16(18)8-5-11/h3-10H,1-2H2
InChIKeySWDXPFJQPFJHCK-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.63
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(4-chlorophenyl)-1,2-dihydronaphthalene?
The IUPAC name of 6-bromo-3-(4-chlorophenyl)-1,2-dihydronaphthalene (CID 167038414) is 6-bromo-3-(4-chlorophenyl)-1,2-dihydronaphthalene.
What is the SMILES notation for 6-bromo-3-(4-chlorophenyl)-1,2-dihydronaphthalene?
The canonical SMILES for 6-bromo-3-(4-chlorophenyl)-1,2-dihydronaphthalene is Clc1ccc(C2=Cc3cc(Br)ccc3CC2)cc1.
What is the InChIKey of 6-bromo-3-(4-chlorophenyl)-1,2-dihydronaphthalene?
The InChIKey is SWDXPFJQPFJHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrCl/c17-15-6-3-12-1-2-13(9-14(12)10-15)11-4-7-16(18)8-5-11/h3-10H,1-2H2.
What are the key properties of 6-bromo-3-(4-chlorophenyl)-1,2-dihydronaphthalene?
6-bromo-3-(4-chlorophenyl)-1,2-dihydronaphthalene has a molecular weight of 319.63 g/mol, XLogP of 5.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(4-chlorophenyl)-1,2-dihydronaphthalene is sourced from PubChem (CID 167038414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).