1,1'-biphenyl;1-tert-butyl-4-ethylbenzene

C24H28 — CID 142597809

IUPAC1,1'-biphenyl;1-tert-butyl-4-ethylbenzene
SMILESCCc1ccc(C(C)(C)C)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C12H18/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-5-10-6-8-11(9-7-10)12(2,3)4/h1-10H;6-9H,5H2,1-4H3
InChIKeyAYCSREVWYVXCBZ-UHFFFAOYSA-N
MW316.49 g/mol
LogP6.90
Rot. Bonds2

About 1,1'-biphenyl;1-tert-butyl-4-ethylbenzene

1,1'-biphenyl;1-tert-butyl-4-ethylbenzene (PubChem CID 142597809) has the molecular formula C24H28 and a molecular weight of 316.49 g/mol. Its IUPAC name is 1,1'-biphenyl;1-tert-butyl-4-ethylbenzene.

Molecular Properties

Compound Name1,1'-biphenyl;1-tert-butyl-4-ethylbenzene
PubChem CID142597809
Molecular FormulaC24H28
Molecular Weight316.49 g/mol
Exact Mass316.22
IUPAC Name1,1'-biphenyl;1-tert-butyl-4-ethylbenzene
SMILESCCc1ccc(C(C)(C)C)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C12H18/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-5-10-6-8-11(9-7-10)12(2,3)4/h1-10H;6-9H,5H2,1-4H3
InChIKeyAYCSREVWYVXCBZ-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;1-tert-butyl-4-ethylbenzene?
The IUPAC name of 1,1'-biphenyl;1-tert-butyl-4-ethylbenzene (CID 142597809) is 1,1'-biphenyl;1-tert-butyl-4-ethylbenzene.
What is the SMILES notation for 1,1'-biphenyl;1-tert-butyl-4-ethylbenzene?
The canonical SMILES for 1,1'-biphenyl;1-tert-butyl-4-ethylbenzene is CCc1ccc(C(C)(C)C)cc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;1-tert-butyl-4-ethylbenzene?
The InChIKey is AYCSREVWYVXCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C12H18/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-5-10-6-8-11(9-7-10)12(2,3)4/h1-10H;6-9H,5H2,1-4H3.
What are the key properties of 1,1'-biphenyl;1-tert-butyl-4-ethylbenzene?
1,1'-biphenyl;1-tert-butyl-4-ethylbenzene has a molecular weight of 316.49 g/mol, XLogP of 6.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;1-tert-butyl-4-ethylbenzene is sourced from PubChem (CID 142597809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).