2-bromo-1,3-bis(4-methylphenyl)benzene

C20H17Br — CID 4279322

IUPAC2-bromo-1,3-bis(4-methylphenyl)benzene
SMILESCc1ccc(-c2cccc(-c3ccc(C)cc3)c2Br)cc1
InChIInChI=1S/C20H17Br/c1-14-6-10-16(11-7-14)18-4-3-5-19(20(18)21)17-12-8-15(2)9-13-17/h3-13H,1-2H3
InChIKeySDZVPBQRSUWAJJ-UHFFFAOYSA-N
MW337.26 g/mol
LogP6.40
Rot. Bonds2

About 2-bromo-1,3-bis(4-methylphenyl)benzene

2-bromo-1,3-bis(4-methylphenyl)benzene (PubChem CID 4279322) has the molecular formula C20H17Br and a molecular weight of 337.26 g/mol. Its IUPAC name is 2-bromo-1,3-bis(4-methylphenyl)benzene.

Molecular Properties

Compound Name2-bromo-1,3-bis(4-methylphenyl)benzene
PubChem CID4279322
Molecular FormulaC20H17Br
Molecular Weight337.26 g/mol
Exact Mass336.05
IUPAC Name2-bromo-1,3-bis(4-methylphenyl)benzene
SMILESCc1ccc(-c2cccc(-c3ccc(C)cc3)c2Br)cc1
InChIInChI=1S/C20H17Br/c1-14-6-10-16(11-7-14)18-4-3-5-19(20(18)21)17-12-8-15(2)9-13-17/h3-13H,1-2H3
InChIKeySDZVPBQRSUWAJJ-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.26
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-bis(4-methylphenyl)benzene?
The IUPAC name of 2-bromo-1,3-bis(4-methylphenyl)benzene (CID 4279322) is 2-bromo-1,3-bis(4-methylphenyl)benzene.
What is the SMILES notation for 2-bromo-1,3-bis(4-methylphenyl)benzene?
The canonical SMILES for 2-bromo-1,3-bis(4-methylphenyl)benzene is Cc1ccc(-c2cccc(-c3ccc(C)cc3)c2Br)cc1.
What is the InChIKey of 2-bromo-1,3-bis(4-methylphenyl)benzene?
The InChIKey is SDZVPBQRSUWAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Br/c1-14-6-10-16(11-7-14)18-4-3-5-19(20(18)21)17-12-8-15(2)9-13-17/h3-13H,1-2H3.
What are the key properties of 2-bromo-1,3-bis(4-methylphenyl)benzene?
2-bromo-1,3-bis(4-methylphenyl)benzene has a molecular weight of 337.26 g/mol, XLogP of 6.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-bis(4-methylphenyl)benzene is sourced from PubChem (CID 4279322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).