2-benzyl-4-(3-butan-2-ylphenyl)-1-(3-methylphenyl)benzene

C30H30 — CID 102199994

IUPAC2-benzyl-4-(3-butan-2-ylphenyl)-1-(3-methylphenyl)benzene
SMILESCCC(C)c1cccc(-c2ccc(-c3cccc(C)c3)c(Cc3ccccc3)c2)c1
InChIInChI=1S/C30H30/c1-4-23(3)25-13-9-14-26(20-25)27-16-17-30(28-15-8-10-22(2)18-28)29(21-27)19-24-11-6-5-7-12-24/h5-18,20-21,23H,4,19H2,1-3H3
InChIKeyKNPVXOJQLMQSCS-UHFFFAOYSA-N
MW390.57 g/mol
LogP8.43
Rot. Bonds6

About 2-benzyl-4-(3-butan-2-ylphenyl)-1-(3-methylphenyl)benzene

2-benzyl-4-(3-butan-2-ylphenyl)-1-(3-methylphenyl)benzene (PubChem CID 102199994) has the molecular formula C30H30 and a molecular weight of 390.57 g/mol. Its IUPAC name is 2-benzyl-4-(3-butan-2-ylphenyl)-1-(3-methylphenyl)benzene.

Molecular Properties

Compound Name2-benzyl-4-(3-butan-2-ylphenyl)-1-(3-methylphenyl)benzene
PubChem CID102199994
Molecular FormulaC30H30
Molecular Weight390.57 g/mol
Exact Mass390.23
IUPAC Name2-benzyl-4-(3-butan-2-ylphenyl)-1-(3-methylphenyl)benzene
SMILESCCC(C)c1cccc(-c2ccc(-c3cccc(C)c3)c(Cc3ccccc3)c2)c1
InChIInChI=1S/C30H30/c1-4-23(3)25-13-9-14-26(20-25)27-16-17-30(28-15-8-10-22(2)18-28)29(21-27)19-24-11-6-5-7-12-24/h5-18,20-21,23H,4,19H2,1-3H3
InChIKeyKNPVXOJQLMQSCS-UHFFFAOYSA-N
XLogP8.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-butan-2-yl-1,2-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)phenyl]benzene;2-methyl-1,4-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)-5-phenylphenyl]benzene;1-methyl-3,5-bis[3-(4-methylphenyl)-5-phenylphenyl]benzene;1-[2-methyl-4-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-3-(3-methylphenyl)-5-phenylbenzene
CID 161054987
1-benzyl-3-butan-2-ylbenzene
CID 15748559
4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine
CID 91096152
1-butan-2-yl-2-(2-methylphenyl)-4-(3-methylphenyl)benzene
CID 145018366
4-benzyl-2-(3-methylphenyl)-1-phenylbenzene
CID 19607190
3-[3-(3-methylphenyl)phenyl]butanoic acid
CID 82543319
4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine
CID 59552748
1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene
CID 142401875
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(2-methylphenyl)phenyl]-6-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine;4-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]-5-[3-(2-methylphenyl)phenyl]-2-phenylpyrimidine;4-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
CID 160924050
1-butan-2-yl-3-ethylbenzene
CID 528681
4-(3-methylphenyl)-1,2-diphenylbenzene
CID 59171658

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(3-butan-2-ylphenyl)-1-(3-methylphenyl)benzene?
The IUPAC name of 2-benzyl-4-(3-butan-2-ylphenyl)-1-(3-methylphenyl)benzene (CID 102199994) is 2-benzyl-4-(3-butan-2-ylphenyl)-1-(3-methylphenyl)benzene.
What is the SMILES notation for 2-benzyl-4-(3-butan-2-ylphenyl)-1-(3-methylphenyl)benzene?
The canonical SMILES for 2-benzyl-4-(3-butan-2-ylphenyl)-1-(3-methylphenyl)benzene is CCC(C)c1cccc(-c2ccc(-c3cccc(C)c3)c(Cc3ccccc3)c2)c1.
What is the InChIKey of 2-benzyl-4-(3-butan-2-ylphenyl)-1-(3-methylphenyl)benzene?
The InChIKey is KNPVXOJQLMQSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30/c1-4-23(3)25-13-9-14-26(20-25)27-16-17-30(28-15-8-10-22(2)18-28)29(21-27)19-24-11-6-5-7-12-24/h5-18,20-21,23H,4,19H2,1-3H3.
What are the key properties of 2-benzyl-4-(3-butan-2-ylphenyl)-1-(3-methylphenyl)benzene?
2-benzyl-4-(3-butan-2-ylphenyl)-1-(3-methylphenyl)benzene has a molecular weight of 390.57 g/mol, XLogP of 8.43, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(3-butan-2-ylphenyl)-1-(3-methylphenyl)benzene is sourced from PubChem (CID 102199994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).