1,1'-biphenyl;1-bromobutane

C16H19Br — CID 174623341

IUPAC1,1'-biphenyl;1-bromobutane
SMILESCCCCBr.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H9Br/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3-4-5/h1-10H;2-4H2,1H3
InChIKeyKFMBEELEDYHAIO-UHFFFAOYSA-N
MW291.23 g/mol
LogP5.53
Rot. Bonds3

About 1,1'-biphenyl;1-bromobutane

1,1'-biphenyl;1-bromobutane (PubChem CID 174623341) has the molecular formula C16H19Br and a molecular weight of 291.23 g/mol. Its IUPAC name is 1,1'-biphenyl;1-bromobutane.

Molecular Properties

Compound Name1,1'-biphenyl;1-bromobutane
PubChem CID174623341
Molecular FormulaC16H19Br
Molecular Weight291.23 g/mol
Exact Mass290.07
IUPAC Name1,1'-biphenyl;1-bromobutane
SMILESCCCCBr.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H9Br/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3-4-5/h1-10H;2-4H2,1H3
InChIKeyKFMBEELEDYHAIO-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.23
LogP ≤ 55.53
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

1,1'-biphenyl;hexadecane
CID 173308514
azane;1,1'-biphenyl;butane
CID 155168826
1-bromopentane;toluene
CID 122480238
1-butyl-4-phenylbenzene;ethane
CID 143743409
benzene;1,1'-biphenyl;ethane
CID 158550617
1,1'-biphenyl;heptadecan-9-one
CID 19613965
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
1-bromobutane;phosphane
CID 87070199
1,1'-biphenyl;ethane;hydrobromide
CID 90342014
benzene;1,1'-biphenyl;ethane;methane
CID 161215689
1-bromododecane;cumene
CID 174305646
1-butyl-4-phenylpyridin-1-ium
CID 14317875

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;1-bromobutane?
The IUPAC name of 1,1'-biphenyl;1-bromobutane (CID 174623341) is 1,1'-biphenyl;1-bromobutane.
What is the SMILES notation for 1,1'-biphenyl;1-bromobutane?
The canonical SMILES for 1,1'-biphenyl;1-bromobutane is CCCCBr.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;1-bromobutane?
The InChIKey is KFMBEELEDYHAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C4H9Br/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3-4-5/h1-10H;2-4H2,1H3.
What are the key properties of 1,1'-biphenyl;1-bromobutane?
1,1'-biphenyl;1-bromobutane has a molecular weight of 291.23 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;1-bromobutane is sourced from PubChem (CID 174623341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).