1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene

C24H32 — CID 58371806

IUPAC1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene
SMILESCC(C)c1ccc(C2CCC(c3ccc(C(C)(C)C)cc3)C2)cc1
InChIInChI=1S/C24H32/c1-17(2)18-6-8-19(9-7-18)21-10-11-22(16-21)20-12-14-23(15-13-20)24(3,4)5/h6-9,12-15,17,21-22H,10-11,16H2,1-5H3
InChIKeyIFQOVYMCSKMJJB-UHFFFAOYSA-N
MW320.52 g/mol
LogP7.16
Rot. Bonds3

About 1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene

1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene (PubChem CID 58371806) has the molecular formula C24H32 and a molecular weight of 320.52 g/mol. Its IUPAC name is 1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene
PubChem CID58371806
Molecular FormulaC24H32
Molecular Weight320.52 g/mol
Exact Mass320.25
IUPAC Name1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene
SMILESCC(C)c1ccc(C2CCC(c3ccc(C(C)(C)C)cc3)C2)cc1
InChIInChI=1S/C24H32/c1-17(2)18-6-8-19(9-7-18)21-10-11-22(16-21)20-12-14-23(15-13-20)24(3,4)5/h6-9,12-15,17,21-22H,10-11,16H2,1-5H3
InChIKeyIFQOVYMCSKMJJB-UHFFFAOYSA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene?
The IUPAC name of 1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene (CID 58371806) is 1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene?
The canonical SMILES for 1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene is CC(C)c1ccc(C2CCC(c3ccc(C(C)(C)C)cc3)C2)cc1.
What is the InChIKey of 1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene?
The InChIKey is IFQOVYMCSKMJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32/c1-17(2)18-6-8-19(9-7-18)21-10-11-22(16-21)20-12-14-23(15-13-20)24(3,4)5/h6-9,12-15,17,21-22H,10-11,16H2,1-5H3.
What are the key properties of 1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene?
1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene has a molecular weight of 320.52 g/mol, XLogP of 7.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene is sourced from PubChem (CID 58371806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).