(2-bromocyclobuten-1-yl)benzene

C10H9Br — CID 582401

IUPAC(2-bromocyclobuten-1-yl)benzene
SMILESBrC1=C(c2ccccc2)CC1
InChIInChI=1S/C10H9Br/c11-10-7-6-9(10)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyCJQCNBLVPPZROE-UHFFFAOYSA-N
MW209.09 g/mol
LogP3.59
Rot. Bonds1

About (2-bromocyclobuten-1-yl)benzene

(2-bromocyclobuten-1-yl)benzene (PubChem CID 582401) has the molecular formula C10H9Br and a molecular weight of 209.09 g/mol. Its IUPAC name is (2-bromocyclobuten-1-yl)benzene.

Molecular Properties

Compound Name(2-bromocyclobuten-1-yl)benzene
PubChem CID582401
Molecular FormulaC10H9Br
Molecular Weight209.09 g/mol
Exact Mass207.99
IUPAC Name(2-bromocyclobuten-1-yl)benzene
SMILESBrC1=C(c2ccccc2)CC1
InChIInChI=1S/C10H9Br/c11-10-7-6-9(10)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyCJQCNBLVPPZROE-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.09
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 22917403
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CID 5378897
1-iodo-4-(2-phenylcyclobuten-1-yl)benzene
CID 10616539
(2-bromo-3,4-diphenylcyclopenta-1,3-dien-1-yl)benzene
CID 71517029
benzene;tris(1,1'-biphenyl)
CID 162155747
2-fluoro-1,3-dimethyl-4-phenylcyclohexa-1,3-diene
CID 173366752
(2-chlorocyclohexen-1-yl)benzene
CID 14737118
1,5-dimethyl-4-phenyl-2,3-dihydropyridin-1-ium
CID 13359073
1,1'-biphenyl;cycloheptane
CID 174877368
5-bromo-6-phenyl-2,3-dihydro-1,4-dithiine
CID 11414632
CID 162140615
CID 162140615

Frequently Asked Questions

What is the IUPAC name of (2-bromocyclobuten-1-yl)benzene?
The IUPAC name of (2-bromocyclobuten-1-yl)benzene (CID 582401) is (2-bromocyclobuten-1-yl)benzene.
What is the SMILES notation for (2-bromocyclobuten-1-yl)benzene?
The canonical SMILES for (2-bromocyclobuten-1-yl)benzene is BrC1=C(c2ccccc2)CC1.
What is the InChIKey of (2-bromocyclobuten-1-yl)benzene?
The InChIKey is CJQCNBLVPPZROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br/c11-10-7-6-9(10)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of (2-bromocyclobuten-1-yl)benzene?
(2-bromocyclobuten-1-yl)benzene has a molecular weight of 209.09 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromocyclobuten-1-yl)benzene is sourced from PubChem (CID 582401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).