1-bromo-2-(2-bromophenyl)-3-tert-butylbenzene

C16H16Br2 — CID 19867481

IUPAC1-bromo-2-(2-bromophenyl)-3-tert-butylbenzene
SMILESCC(C)(C)c1cccc(Br)c1-c1ccccc1Br
InChIInChI=1S/C16H16Br2/c1-16(2,3)12-8-6-10-14(18)15(12)11-7-4-5-9-13(11)17/h4-10H,1-3H3
InChIKeyYWVFFECLZLMHKK-UHFFFAOYSA-N
MW368.11 g/mol
LogP6.18
Rot. Bonds1

About 1-bromo-2-(2-bromophenyl)-3-tert-butylbenzene

1-bromo-2-(2-bromophenyl)-3-tert-butylbenzene (PubChem CID 19867481) has the molecular formula C16H16Br2 and a molecular weight of 368.11 g/mol. Its IUPAC name is 1-bromo-2-(2-bromophenyl)-3-tert-butylbenzene.

Molecular Properties

Compound Name1-bromo-2-(2-bromophenyl)-3-tert-butylbenzene
PubChem CID19867481
Molecular FormulaC16H16Br2
Molecular Weight368.11 g/mol
Exact Mass365.96
IUPAC Name1-bromo-2-(2-bromophenyl)-3-tert-butylbenzene
SMILESCC(C)(C)c1cccc(Br)c1-c1ccccc1Br
InChIInChI=1S/C16H16Br2/c1-16(2,3)12-8-6-10-14(18)15(12)11-7-4-5-9-13(11)17/h4-10H,1-3H3
InChIKeyYWVFFECLZLMHKK-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.11
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-bromophenyl)-3-tert-butylbenzene?
The IUPAC name of 1-bromo-2-(2-bromophenyl)-3-tert-butylbenzene (CID 19867481) is 1-bromo-2-(2-bromophenyl)-3-tert-butylbenzene.
What is the SMILES notation for 1-bromo-2-(2-bromophenyl)-3-tert-butylbenzene?
The canonical SMILES for 1-bromo-2-(2-bromophenyl)-3-tert-butylbenzene is CC(C)(C)c1cccc(Br)c1-c1ccccc1Br.
What is the InChIKey of 1-bromo-2-(2-bromophenyl)-3-tert-butylbenzene?
The InChIKey is YWVFFECLZLMHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2/c1-16(2,3)12-8-6-10-14(18)15(12)11-7-4-5-9-13(11)17/h4-10H,1-3H3.
What are the key properties of 1-bromo-2-(2-bromophenyl)-3-tert-butylbenzene?
1-bromo-2-(2-bromophenyl)-3-tert-butylbenzene has a molecular weight of 368.11 g/mol, XLogP of 6.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-bromophenyl)-3-tert-butylbenzene is sourced from PubChem (CID 19867481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).