1-cyclobutyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene

C24H24 — CID 156827095

IUPAC1-cyclobutyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cccc(C3CCC3)c2-c2ccccc2C)cc1
InChIInChI=1S/C24H24/c1-17-13-15-20(16-14-17)23-12-6-11-22(19-8-5-9-19)24(23)21-10-4-3-7-18(21)2/h3-4,6-7,10-16,19H,5,8-9H2,1-2H3
InChIKeyRIRBFBDBXNGIAP-UHFFFAOYSA-N
MW312.46 g/mol
LogP6.90
Rot. Bonds3

About 1-cyclobutyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene

1-cyclobutyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene (PubChem CID 156827095) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-cyclobutyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-cyclobutyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene
PubChem CID156827095
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name1-cyclobutyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cccc(C3CCC3)c2-c2ccccc2C)cc1
InChIInChI=1S/C24H24/c1-17-13-15-20(16-14-17)23-12-6-11-22(19-8-5-9-19)24(23)21-10-4-3-7-18(21)2/h3-4,6-7,10-16,19H,5,8-9H2,1-2H3
InChIKeyRIRBFBDBXNGIAP-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene
CID 144785199
1-cyclobutyl-2-phenylbenzene
CID 23453799
2-cyclobutyl-7-methylcyclohepta-2,4,6-trien-1-one
CID 157060822
1,2-bis(2-methylphenyl)-3-phenylbenzene
CID 175315364
(2,3-dimethylphenyl)cyclodecane
CID 21161883
1-methyl-2-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892346
4-(2-cyclopentylphenyl)aniline
CID 174376449
1-bromo-3-(2-cyclobutylphenyl)-2-methylbenzene
CID 144658616
azane;1-methyl-2,3-diphenylbenzene
CID 175031313
azane;1-cyclopropyl-2-phenylbenzene
CID 174547513
3-(2-cyclobutylphenyl)-4-methylpyridin-2-amine
CID 114605965
butane;1-cyclobutyl-2-(2,4-dimethylphenyl)-3-phenylbenzene;ethene;5-(3-ethylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;2-methylbutane;toluene
CID 162362891

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene?
The IUPAC name of 1-cyclobutyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene (CID 156827095) is 1-cyclobutyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene.
What is the SMILES notation for 1-cyclobutyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene?
The canonical SMILES for 1-cyclobutyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene is Cc1ccc(-c2cccc(C3CCC3)c2-c2ccccc2C)cc1.
What is the InChIKey of 1-cyclobutyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene?
The InChIKey is RIRBFBDBXNGIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24/c1-17-13-15-20(16-14-17)23-12-6-11-22(19-8-5-9-19)24(23)21-10-4-3-7-18(21)2/h3-4,6-7,10-16,19H,5,8-9H2,1-2H3.
What are the key properties of 1-cyclobutyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene?
1-cyclobutyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene has a molecular weight of 312.46 g/mol, XLogP of 6.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene is sourced from PubChem (CID 156827095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).