2-(3-tert-butylphenyl)-1,3-diethylbenzene

C20H26 — CID 173336960

IUPAC2-(3-tert-butylphenyl)-1,3-diethylbenzene
SMILESCCc1cccc(CC)c1-c1cccc(C(C)(C)C)c1
InChIInChI=1S/C20H26/c1-6-15-10-8-11-16(7-2)19(15)17-12-9-13-18(14-17)20(3,4)5/h8-14H,6-7H2,1-5H3
InChIKeyNEIBSRHXUQQXOC-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.78
Rot. Bonds3

About 2-(3-tert-butylphenyl)-1,3-diethylbenzene

2-(3-tert-butylphenyl)-1,3-diethylbenzene (PubChem CID 173336960) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(3-tert-butylphenyl)-1,3-diethylbenzene.

Molecular Properties

Compound Name2-(3-tert-butylphenyl)-1,3-diethylbenzene
PubChem CID173336960
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name2-(3-tert-butylphenyl)-1,3-diethylbenzene
SMILESCCc1cccc(CC)c1-c1cccc(C(C)(C)C)c1
InChIInChI=1S/C20H26/c1-6-15-10-8-11-16(7-2)19(15)17-12-9-13-18(14-17)20(3,4)5/h8-14H,6-7H2,1-5H3
InChIKeyNEIBSRHXUQQXOC-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenyl)-1,3-diethylbenzene?
The IUPAC name of 2-(3-tert-butylphenyl)-1,3-diethylbenzene (CID 173336960) is 2-(3-tert-butylphenyl)-1,3-diethylbenzene.
What is the SMILES notation for 2-(3-tert-butylphenyl)-1,3-diethylbenzene?
The canonical SMILES for 2-(3-tert-butylphenyl)-1,3-diethylbenzene is CCc1cccc(CC)c1-c1cccc(C(C)(C)C)c1.
What is the InChIKey of 2-(3-tert-butylphenyl)-1,3-diethylbenzene?
The InChIKey is NEIBSRHXUQQXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-6-15-10-8-11-16(7-2)19(15)17-12-9-13-18(14-17)20(3,4)5/h8-14H,6-7H2,1-5H3.
What are the key properties of 2-(3-tert-butylphenyl)-1,3-diethylbenzene?
2-(3-tert-butylphenyl)-1,3-diethylbenzene has a molecular weight of 266.43 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenyl)-1,3-diethylbenzene is sourced from PubChem (CID 173336960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).