1-(2,2-diphenylcyclobutyl)-4-methylbenzene

C23H22 — CID 175322057

IUPAC1-(2,2-diphenylcyclobutyl)-4-methylbenzene
SMILESCc1ccc(C2CCC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22/c1-18-12-14-19(15-13-18)22-16-17-23(22,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22H,16-17H2,1H3
InChIKeyRZRMFQOTFIQWJT-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.86
Rot. Bonds3

About 1-(2,2-diphenylcyclobutyl)-4-methylbenzene

1-(2,2-diphenylcyclobutyl)-4-methylbenzene (PubChem CID 175322057) has the molecular formula C23H22 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(2,2-diphenylcyclobutyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(2,2-diphenylcyclobutyl)-4-methylbenzene
PubChem CID175322057
Molecular FormulaC23H22
Molecular Weight298.43 g/mol
Exact Mass298.17
IUPAC Name1-(2,2-diphenylcyclobutyl)-4-methylbenzene
SMILESCc1ccc(C2CCC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22/c1-18-12-14-19(15-13-18)22-16-17-23(22,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22H,16-17H2,1H3
InChIKeyRZRMFQOTFIQWJT-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylcyclobutyl)-4-methylbenzene?
The IUPAC name of 1-(2,2-diphenylcyclobutyl)-4-methylbenzene (CID 175322057) is 1-(2,2-diphenylcyclobutyl)-4-methylbenzene.
What is the SMILES notation for 1-(2,2-diphenylcyclobutyl)-4-methylbenzene?
The canonical SMILES for 1-(2,2-diphenylcyclobutyl)-4-methylbenzene is Cc1ccc(C2CCC2(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(2,2-diphenylcyclobutyl)-4-methylbenzene?
The InChIKey is RZRMFQOTFIQWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22/c1-18-12-14-19(15-13-18)22-16-17-23(22,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22H,16-17H2,1H3.
What are the key properties of 1-(2,2-diphenylcyclobutyl)-4-methylbenzene?
1-(2,2-diphenylcyclobutyl)-4-methylbenzene has a molecular weight of 298.43 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylcyclobutyl)-4-methylbenzene is sourced from PubChem (CID 175322057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).