1-(3-chlorocyclopentyl)-4-phenylbenzene

C17H17Cl — CID 65455523

IUPAC1-(3-chlorocyclopentyl)-4-phenylbenzene
SMILESClC1CCC(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C17H17Cl/c18-17-11-10-16(12-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-17H,10-12H2
InChIKeyJWYFAGXFTSNDJG-UHFFFAOYSA-N
MW256.78 g/mol
LogP5.23
Rot. Bonds2

About 1-(3-chlorocyclopentyl)-4-phenylbenzene

1-(3-chlorocyclopentyl)-4-phenylbenzene (PubChem CID 65455523) has the molecular formula C17H17Cl and a molecular weight of 256.78 g/mol. Its IUPAC name is 1-(3-chlorocyclopentyl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(3-chlorocyclopentyl)-4-phenylbenzene
PubChem CID65455523
Molecular FormulaC17H17Cl
Molecular Weight256.78 g/mol
Exact Mass256.10
IUPAC Name1-(3-chlorocyclopentyl)-4-phenylbenzene
SMILESClC1CCC(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C17H17Cl/c18-17-11-10-16(12-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-17H,10-12H2
InChIKeyJWYFAGXFTSNDJG-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.78
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorocyclopentyl)-4-phenylbenzene?
The IUPAC name of 1-(3-chlorocyclopentyl)-4-phenylbenzene (CID 65455523) is 1-(3-chlorocyclopentyl)-4-phenylbenzene.
What is the SMILES notation for 1-(3-chlorocyclopentyl)-4-phenylbenzene?
The canonical SMILES for 1-(3-chlorocyclopentyl)-4-phenylbenzene is ClC1CCC(c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 1-(3-chlorocyclopentyl)-4-phenylbenzene?
The InChIKey is JWYFAGXFTSNDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl/c18-17-11-10-16(12-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-17H,10-12H2.
What are the key properties of 1-(3-chlorocyclopentyl)-4-phenylbenzene?
1-(3-chlorocyclopentyl)-4-phenylbenzene has a molecular weight of 256.78 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorocyclopentyl)-4-phenylbenzene is sourced from PubChem (CID 65455523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).