1-bromo-4-[2-(4-bromophenyl)ethyl]benzene

C14H12Br2 — CID 12594240

IUPAC1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
SMILESBrc1ccc(CCc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12Br2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,1-2H2
InChIKeyXDRPVMCAFPGETC-UHFFFAOYSA-N
MW340.06 g/mol
LogP5.00
Rot. Bonds3

About 1-bromo-4-[2-(4-bromophenyl)ethyl]benzene

1-bromo-4-[2-(4-bromophenyl)ethyl]benzene (PubChem CID 12594240) has the molecular formula C14H12Br2 and a molecular weight of 340.06 g/mol. Its IUPAC name is 1-bromo-4-[2-(4-bromophenyl)ethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
PubChem CID12594240
Molecular FormulaC14H12Br2
Molecular Weight340.06 g/mol
Exact Mass337.93
IUPAC Name1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
SMILESBrc1ccc(CCc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12Br2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,1-2H2
InChIKeyXDRPVMCAFPGETC-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.06
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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O-[2-(4-bromophenyl)ethyl]hydroxylamine
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10-(4-bromophenyl)decan-1-amine
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(4-bromophenyl)methyl-oxosulfanium
CID 158930689
1-bromo-4-ethylbenzene
CID 15313
1-bromo-4-ethylbenzene
CID 20805498
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CID 11811178
CID 11811178

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-(4-bromophenyl)ethyl]benzene?
The IUPAC name of 1-bromo-4-[2-(4-bromophenyl)ethyl]benzene (CID 12594240) is 1-bromo-4-[2-(4-bromophenyl)ethyl]benzene.
What is the SMILES notation for 1-bromo-4-[2-(4-bromophenyl)ethyl]benzene?
The canonical SMILES for 1-bromo-4-[2-(4-bromophenyl)ethyl]benzene is Brc1ccc(CCc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-[2-(4-bromophenyl)ethyl]benzene?
The InChIKey is XDRPVMCAFPGETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,1-2H2.
What are the key properties of 1-bromo-4-[2-(4-bromophenyl)ethyl]benzene?
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene has a molecular weight of 340.06 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-(4-bromophenyl)ethyl]benzene is sourced from PubChem (CID 12594240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).