1,1'-biphenyl;ethane;hydrobromide

C14H17Br — CID 90342014

IUPAC1,1'-biphenyl;ethane;hydrobromide
SMILESBr.CC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C2H6.BrH/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2;/h1-10H;1-2H3;1H
InChIKeyDZMUFNVKEFNRGE-UHFFFAOYSA-N
MW265.19 g/mol
LogP4.96
Rot. Bonds1

About 1,1'-biphenyl;ethane;hydrobromide

1,1'-biphenyl;ethane;hydrobromide (PubChem CID 90342014) has the molecular formula C14H17Br and a molecular weight of 265.19 g/mol. Its IUPAC name is 1,1'-biphenyl;ethane;hydrobromide.

Molecular Properties

Compound Name1,1'-biphenyl;ethane;hydrobromide
PubChem CID90342014
Molecular FormulaC14H17Br
Molecular Weight265.19 g/mol
Exact Mass264.05
IUPAC Name1,1'-biphenyl;ethane;hydrobromide
SMILESBr.CC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C2H6.BrH/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2;/h1-10H;1-2H3;1H
InChIKeyDZMUFNVKEFNRGE-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;1,1'-biphenyl;ethane
CID 158550617
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
benzene;1,1'-biphenyl;ethane;methane
CID 161215689
benzene;tris(1,1'-biphenyl)
CID 162155747
ethane;1,3,5-triphenylbenzene
CID 142123051
1,4-diphenylbenzene;ethane;methanamine
CID 168951795
1,1'-biphenyl;ethane;naphthalene
CID 160802649
1,1'-biphenyl;hydrofluoride
CID 67516975
1,1'-biphenyl;mercury
CID 67099988
CID 53446764
CID 53446764
CID 162140615
CID 162140615
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;ethane;hydrobromide?
The IUPAC name of 1,1'-biphenyl;ethane;hydrobromide (CID 90342014) is 1,1'-biphenyl;ethane;hydrobromide.
What is the SMILES notation for 1,1'-biphenyl;ethane;hydrobromide?
The canonical SMILES for 1,1'-biphenyl;ethane;hydrobromide is Br.CC.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;ethane;hydrobromide?
The InChIKey is DZMUFNVKEFNRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C2H6.BrH/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2;/h1-10H;1-2H3;1H.
What are the key properties of 1,1'-biphenyl;ethane;hydrobromide?
1,1'-biphenyl;ethane;hydrobromide has a molecular weight of 265.19 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;ethane;hydrobromide is sourced from PubChem (CID 90342014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).