1-[3-ethyl-4-[4-methyl-3-(2-methylpropyl)phenyl]phenyl]-4-methyl-2-(2-methylpropyl)benzene

C30H38 — CID 91268361

IUPAC1-[3-ethyl-4-[4-methyl-3-(2-methylpropyl)phenyl]phenyl]-4-methyl-2-(2-methylpropyl)benzene
SMILESCCc1cc(-c2ccc(C)cc2CC(C)C)ccc1-c1ccc(C)c(CC(C)C)c1
InChIInChI=1S/C30H38/c1-8-24-18-26(30-13-9-22(6)17-28(30)16-21(4)5)12-14-29(24)25-11-10-23(7)27(19-25)15-20(2)3/h9-14,17-21H,8,15-16H2,1-7H3
InChIKeyVRSBYHLTKHMUBI-UHFFFAOYSA-N
MW398.63 g/mol
LogP8.60
Rot. Bonds7

About 1-[3-ethyl-4-[4-methyl-3-(2-methylpropyl)phenyl]phenyl]-4-methyl-2-(2-methylpropyl)benzene

1-[3-ethyl-4-[4-methyl-3-(2-methylpropyl)phenyl]phenyl]-4-methyl-2-(2-methylpropyl)benzene (PubChem CID 91268361) has the molecular formula C30H38 and a molecular weight of 398.63 g/mol. Its IUPAC name is 1-[3-ethyl-4-[4-methyl-3-(2-methylpropyl)phenyl]phenyl]-4-methyl-2-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-[3-ethyl-4-[4-methyl-3-(2-methylpropyl)phenyl]phenyl]-4-methyl-2-(2-methylpropyl)benzene
PubChem CID91268361
Molecular FormulaC30H38
Molecular Weight398.63 g/mol
Exact Mass398.30
IUPAC Name1-[3-ethyl-4-[4-methyl-3-(2-methylpropyl)phenyl]phenyl]-4-methyl-2-(2-methylpropyl)benzene
SMILESCCc1cc(-c2ccc(C)cc2CC(C)C)ccc1-c1ccc(C)c(CC(C)C)c1
InChIInChI=1S/C30H38/c1-8-24-18-26(30-13-9-22(6)17-28(30)16-21(4)5)12-14-29(24)25-11-10-23(7)27(19-25)15-20(2)3/h9-14,17-21H,8,15-16H2,1-7H3
InChIKeyVRSBYHLTKHMUBI-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.63
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-[4-methyl-3-(2-methylpropyl)phenyl]phenyl]-4-methyl-2-(2-methylpropyl)benzene?
The IUPAC name of 1-[3-ethyl-4-[4-methyl-3-(2-methylpropyl)phenyl]phenyl]-4-methyl-2-(2-methylpropyl)benzene (CID 91268361) is 1-[3-ethyl-4-[4-methyl-3-(2-methylpropyl)phenyl]phenyl]-4-methyl-2-(2-methylpropyl)benzene.
What is the SMILES notation for 1-[3-ethyl-4-[4-methyl-3-(2-methylpropyl)phenyl]phenyl]-4-methyl-2-(2-methylpropyl)benzene?
The canonical SMILES for 1-[3-ethyl-4-[4-methyl-3-(2-methylpropyl)phenyl]phenyl]-4-methyl-2-(2-methylpropyl)benzene is CCc1cc(-c2ccc(C)cc2CC(C)C)ccc1-c1ccc(C)c(CC(C)C)c1.
What is the InChIKey of 1-[3-ethyl-4-[4-methyl-3-(2-methylpropyl)phenyl]phenyl]-4-methyl-2-(2-methylpropyl)benzene?
The InChIKey is VRSBYHLTKHMUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38/c1-8-24-18-26(30-13-9-22(6)17-28(30)16-21(4)5)12-14-29(24)25-11-10-23(7)27(19-25)15-20(2)3/h9-14,17-21H,8,15-16H2,1-7H3.
What are the key properties of 1-[3-ethyl-4-[4-methyl-3-(2-methylpropyl)phenyl]phenyl]-4-methyl-2-(2-methylpropyl)benzene?
1-[3-ethyl-4-[4-methyl-3-(2-methylpropyl)phenyl]phenyl]-4-methyl-2-(2-methylpropyl)benzene has a molecular weight of 398.63 g/mol, XLogP of 8.60, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-[4-methyl-3-(2-methylpropyl)phenyl]phenyl]-4-methyl-2-(2-methylpropyl)benzene is sourced from PubChem (CID 91268361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).