1-butan-2-yl-2-(2-methylphenyl)-4-(3-methylphenyl)benzene

C24H26 — CID 145018366

IUPAC1-butan-2-yl-2-(2-methylphenyl)-4-(3-methylphenyl)benzene
SMILESCCC(C)c1ccc(-c2cccc(C)c2)cc1-c1ccccc1C
InChIInChI=1S/C24H26/c1-5-18(3)23-14-13-21(20-11-8-9-17(2)15-20)16-24(23)22-12-7-6-10-19(22)4/h6-16,18H,5H2,1-4H3
InChIKeyFRABGKXUJQLPPH-UHFFFAOYSA-N
MW314.47 g/mol
LogP7.15
Rot. Bonds4

About 1-butan-2-yl-2-(2-methylphenyl)-4-(3-methylphenyl)benzene

1-butan-2-yl-2-(2-methylphenyl)-4-(3-methylphenyl)benzene (PubChem CID 145018366) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-butan-2-yl-2-(2-methylphenyl)-4-(3-methylphenyl)benzene.

Molecular Properties

Compound Name1-butan-2-yl-2-(2-methylphenyl)-4-(3-methylphenyl)benzene
PubChem CID145018366
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name1-butan-2-yl-2-(2-methylphenyl)-4-(3-methylphenyl)benzene
SMILESCCC(C)c1ccc(-c2cccc(C)c2)cc1-c1ccccc1C
InChIInChI=1S/C24H26/c1-5-18(3)23-14-13-21(20-11-8-9-17(2)15-20)16-24(23)22-12-7-6-10-19(22)4/h6-16,18H,5H2,1-4H3
InChIKeyFRABGKXUJQLPPH-UHFFFAOYSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;1-methyl-2-(2-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 158386869
1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene
CID 159346959
ethane;bis(1-methyl-2-(2-methylphenyl)benzene);1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene
CID 163847388
1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;ethane;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene
CID 158847391
1-methyl-2-[3-[4-[2-(3-methylphenyl)phenyl]phenyl]phenyl]benzene
CID 153455101
1,2-bis(3-methylphenyl)benzene;1,3-bis(3-methylphenyl)benzene;1-methyl-2-[2-(3-methylphenyl)phenyl]benzene;1-methyl-2-[3-(3-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;1-methyl-4-[2-(3-methylphenyl)phenyl]benzene
CID 162017354
1,3-dimethyl-5-(3-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene
CID 143743281
1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene
CID 160676393
1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene
CID 163934955
1,3-bis(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-2-[4-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1,3-xylene
CID 158071150
1-methyl-2-[2-(4-phenylphenyl)phenyl]benzene;1-methyl-2-[3-(3-phenylphenyl)phenyl]benzene;1-methyl-2-[3-(4-phenylphenyl)phenyl]benzene;1-methyl-3-[2-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[2-(4-phenylphenyl)phenyl]benzene
CID 157433128
2-benzyl-4-(3-butan-2-ylphenyl)-1-(3-methylphenyl)benzene
CID 102199994

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-(2-methylphenyl)-4-(3-methylphenyl)benzene?
The IUPAC name of 1-butan-2-yl-2-(2-methylphenyl)-4-(3-methylphenyl)benzene (CID 145018366) is 1-butan-2-yl-2-(2-methylphenyl)-4-(3-methylphenyl)benzene.
What is the SMILES notation for 1-butan-2-yl-2-(2-methylphenyl)-4-(3-methylphenyl)benzene?
The canonical SMILES for 1-butan-2-yl-2-(2-methylphenyl)-4-(3-methylphenyl)benzene is CCC(C)c1ccc(-c2cccc(C)c2)cc1-c1ccccc1C.
What is the InChIKey of 1-butan-2-yl-2-(2-methylphenyl)-4-(3-methylphenyl)benzene?
The InChIKey is FRABGKXUJQLPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26/c1-5-18(3)23-14-13-21(20-11-8-9-17(2)15-20)16-24(23)22-12-7-6-10-19(22)4/h6-16,18H,5H2,1-4H3.
What are the key properties of 1-butan-2-yl-2-(2-methylphenyl)-4-(3-methylphenyl)benzene?
1-butan-2-yl-2-(2-methylphenyl)-4-(3-methylphenyl)benzene has a molecular weight of 314.47 g/mol, XLogP of 7.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-(2-methylphenyl)-4-(3-methylphenyl)benzene is sourced from PubChem (CID 145018366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).