1-(1,4-dibromobutan-2-yl)-4-ethylbenzene

C12H16Br2 — CID 23314164

IUPAC1-(1,4-dibromobutan-2-yl)-4-ethylbenzene
SMILESCCc1ccc(C(CBr)CCBr)cc1
InChIInChI=1S/C12H16Br2/c1-2-10-3-5-11(6-4-10)12(9-14)7-8-13/h3-6,12H,2,7-9H2,1H3
InChIKeyLCDAQRPVXAOTAE-UHFFFAOYSA-N
MW320.07 g/mol
LogP4.51
Rot. Bonds5

About 1-(1,4-dibromobutan-2-yl)-4-ethylbenzene

1-(1,4-dibromobutan-2-yl)-4-ethylbenzene (PubChem CID 23314164) has the molecular formula C12H16Br2 and a molecular weight of 320.07 g/mol. Its IUPAC name is 1-(1,4-dibromobutan-2-yl)-4-ethylbenzene.

Molecular Properties

Compound Name1-(1,4-dibromobutan-2-yl)-4-ethylbenzene
PubChem CID23314164
Molecular FormulaC12H16Br2
Molecular Weight320.07 g/mol
Exact Mass317.96
IUPAC Name1-(1,4-dibromobutan-2-yl)-4-ethylbenzene
SMILESCCc1ccc(C(CBr)CCBr)cc1
InChIInChI=1S/C12H16Br2/c1-2-10-3-5-11(6-4-10)12(9-14)7-8-13/h3-6,12H,2,7-9H2,1H3
InChIKeyLCDAQRPVXAOTAE-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.07
LogP ≤ 54.51
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

2-(4-ethylphenyl)propane-1,3-diol
CID 14527849
1,4-diethylbenzene;ethane
CID 91207141
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
1-(3-bromo-2-phenylpropoxy)-4-ethylbenzene
CID 65014507
1,4-diethylbenzene;ethane;methane
CID 166131756
1-ethyl-4-undecan-4-ylbenzene
CID 14568440
1-(2-bromo-1-cyclopropylethyl)-4-ethylbenzene
CID 82088100
1-(1-bromohexan-2-yl)-4-fluorobenzene
CID 79435039
1-bromo-4-(1-bromodecan-2-yl)benzene
CID 79434996
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
CID 102370536
1-ethyl-4-(1-methoxybutan-2-yl)benzene
CID 156826765

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dibromobutan-2-yl)-4-ethylbenzene?
The IUPAC name of 1-(1,4-dibromobutan-2-yl)-4-ethylbenzene (CID 23314164) is 1-(1,4-dibromobutan-2-yl)-4-ethylbenzene.
What is the SMILES notation for 1-(1,4-dibromobutan-2-yl)-4-ethylbenzene?
The canonical SMILES for 1-(1,4-dibromobutan-2-yl)-4-ethylbenzene is CCc1ccc(C(CBr)CCBr)cc1.
What is the InChIKey of 1-(1,4-dibromobutan-2-yl)-4-ethylbenzene?
The InChIKey is LCDAQRPVXAOTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2/c1-2-10-3-5-11(6-4-10)12(9-14)7-8-13/h3-6,12H,2,7-9H2,1H3.
What are the key properties of 1-(1,4-dibromobutan-2-yl)-4-ethylbenzene?
1-(1,4-dibromobutan-2-yl)-4-ethylbenzene has a molecular weight of 320.07 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dibromobutan-2-yl)-4-ethylbenzene is sourced from PubChem (CID 23314164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).