1-[4-(4-bromophenyl)phenyl]bicyclo[2.2.1]heptane

C19H19Br — CID 156576322

IUPAC1-[4-(4-bromophenyl)phenyl]bicyclo[2.2.1]heptane
SMILESBrc1ccc(-c2ccc(C34CCC(CC3)C4)cc2)cc1
InChIInChI=1S/C19H19Br/c20-18-7-3-16(4-8-18)15-1-5-17(6-2-15)19-11-9-14(13-19)10-12-19/h1-8,14H,9-13H2
InChIKeyWWTKWOAVDJXNBC-UHFFFAOYSA-N
MW327.26 g/mol
LogP5.95
Rot. Bonds2

About 1-[4-(4-bromophenyl)phenyl]bicyclo[2.2.1]heptane

1-[4-(4-bromophenyl)phenyl]bicyclo[2.2.1]heptane (PubChem CID 156576322) has the molecular formula C19H19Br and a molecular weight of 327.26 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)phenyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)phenyl]bicyclo[2.2.1]heptane
PubChem CID156576322
Molecular FormulaC19H19Br
Molecular Weight327.26 g/mol
Exact Mass326.07
IUPAC Name1-[4-(4-bromophenyl)phenyl]bicyclo[2.2.1]heptane
SMILESBrc1ccc(-c2ccc(C34CCC(CC3)C4)cc2)cc1
InChIInChI=1S/C19H19Br/c20-18-7-3-16(4-8-18)15-1-5-17(6-2-15)19-11-9-14(13-19)10-12-19/h1-8,14H,9-13H2
InChIKeyWWTKWOAVDJXNBC-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.26
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)phenyl]bicyclo[2.2.1]heptane?
The IUPAC name of 1-[4-(4-bromophenyl)phenyl]bicyclo[2.2.1]heptane (CID 156576322) is 1-[4-(4-bromophenyl)phenyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 1-[4-(4-bromophenyl)phenyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 1-[4-(4-bromophenyl)phenyl]bicyclo[2.2.1]heptane is Brc1ccc(-c2ccc(C34CCC(CC3)C4)cc2)cc1.
What is the InChIKey of 1-[4-(4-bromophenyl)phenyl]bicyclo[2.2.1]heptane?
The InChIKey is WWTKWOAVDJXNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Br/c20-18-7-3-16(4-8-18)15-1-5-17(6-2-15)19-11-9-14(13-19)10-12-19/h1-8,14H,9-13H2.
What are the key properties of 1-[4-(4-bromophenyl)phenyl]bicyclo[2.2.1]heptane?
1-[4-(4-bromophenyl)phenyl]bicyclo[2.2.1]heptane has a molecular weight of 327.26 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)phenyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 156576322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).