2-(3-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4,7-tetraene

C14H9Br — CID 66890486

IUPAC2-(3-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4,7-tetraene
SMILESBrc1cccc(-c2cccc3c2C=C3)c1
InChIInChI=1S/C14H9Br/c15-12-5-1-4-11(9-12)13-6-2-3-10-7-8-14(10)13/h1-9H
InChIKeyZBOSWMWAKWXESK-UHFFFAOYSA-N
MW257.13 g/mol
LogP4.60
Rot. Bonds1

About 2-(3-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4,7-tetraene

2-(3-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4,7-tetraene (PubChem CID 66890486) has the molecular formula C14H9Br and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-(3-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4,7-tetraene.

Molecular Properties

Compound Name2-(3-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4,7-tetraene
PubChem CID66890486
Molecular FormulaC14H9Br
Molecular Weight257.13 g/mol
Exact Mass255.99
IUPAC Name2-(3-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4,7-tetraene
SMILESBrc1cccc(-c2cccc3c2C=C3)c1
InChIInChI=1S/C14H9Br/c15-12-5-1-4-11(9-12)13-6-2-3-10-7-8-14(10)13/h1-9H
InChIKeyZBOSWMWAKWXESK-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4,7-tetraene?
The IUPAC name of 2-(3-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4,7-tetraene (CID 66890486) is 2-(3-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4,7-tetraene.
What is the SMILES notation for 2-(3-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4,7-tetraene?
The canonical SMILES for 2-(3-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4,7-tetraene is Brc1cccc(-c2cccc3c2C=C3)c1.
What is the InChIKey of 2-(3-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4,7-tetraene?
The InChIKey is ZBOSWMWAKWXESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br/c15-12-5-1-4-11(9-12)13-6-2-3-10-7-8-14(10)13/h1-9H.
What are the key properties of 2-(3-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4,7-tetraene?
2-(3-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4,7-tetraene has a molecular weight of 257.13 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4,7-tetraene is sourced from PubChem (CID 66890486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).