1,1'-biphenyl;3-chlorocyclopentene

C17H17Cl — CID 162026727

IUPAC1,1'-biphenyl;3-chlorocyclopentene
SMILESClC1C=CCC1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C5H7Cl/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;6-5-3-1-2-4-5/h1-10H;1,3,5H,2,4H2
InChIKeyYVMAZPXRHDNFED-UHFFFAOYSA-N
MW256.78 g/mol
LogP5.30
Rot. Bonds1

About 1,1'-biphenyl;3-chlorocyclopentene

1,1'-biphenyl;3-chlorocyclopentene (PubChem CID 162026727) has the molecular formula C17H17Cl and a molecular weight of 256.78 g/mol. Its IUPAC name is 1,1'-biphenyl;3-chlorocyclopentene.

Molecular Properties

Compound Name1,1'-biphenyl;3-chlorocyclopentene
PubChem CID162026727
Molecular FormulaC17H17Cl
Molecular Weight256.78 g/mol
Exact Mass256.10
IUPAC Name1,1'-biphenyl;3-chlorocyclopentene
SMILESClC1C=CCC1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C5H7Cl/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;6-5-3-1-2-4-5/h1-10H;1,3,5H,2,4H2
InChIKeyYVMAZPXRHDNFED-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.78
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Biphenyl
CID 7095
Perthane
CID 6295
2-Chlorobiphenyl
CID 249266
3-Chlorobiphenyl
CID 16322
4-Chlorobiphenyl
CID 16323
Trityl chloride
CID 6456
p,p'-DDMS
CID 17532
1-Chloro-2-phenylethane
CID 231496
alpha-Chloro-o-xylene
CID 11093
1,2-Bis(chloromethyl)benzene
CID 11919
1,1,1-Trichloro-2,2-diphenylethane
CID 18085
1-Chloro-2,2-bis(4-chlorophenyl)ethylene
CID 98491

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;3-chlorocyclopentene?
The IUPAC name of 1,1'-biphenyl;3-chlorocyclopentene (CID 162026727) is 1,1'-biphenyl;3-chlorocyclopentene.
What is the SMILES notation for 1,1'-biphenyl;3-chlorocyclopentene?
The canonical SMILES for 1,1'-biphenyl;3-chlorocyclopentene is ClC1C=CCC1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;3-chlorocyclopentene?
The InChIKey is YVMAZPXRHDNFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C5H7Cl/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;6-5-3-1-2-4-5/h1-10H;1,3,5H,2,4H2.
What are the key properties of 1,1'-biphenyl;3-chlorocyclopentene?
1,1'-biphenyl;3-chlorocyclopentene has a molecular weight of 256.78 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;3-chlorocyclopentene is sourced from PubChem (CID 162026727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).