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

Analyze 1-(2,2-diphenylcyclobutyl)-4-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-4-methylbenzene;toluene
CID 143243711
2-(4-methylphenyl)-5-phenylthiolane
CID 58161404
1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene
CID 11473198
1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene
CID 144562671
2-[2,2-difluoro-3-(4-methylphenyl)cyclopropyl]-2-phenyl-1,3-dioxolane
CID 11109870
1-chloro-4-(1,2-diphenylcyclopropyl)benzene
CID 166440166
4-[(1R)-2,2-diphenylcyclopropyl]pyridine
CID 7103626
3'-(4-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]
CID 79432560
1-fluoro-4-[1-methyl-2-(4-methylphenyl)cyclopentyl]benzene
CID 142096494
trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate
CID 102087442
benzene;bis(1,4-xylene)
CID 159472747
1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene
CID 15556691

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).