1-[1-(3,5-diethylphenyl)propyl]-3,5-diethylbenzene

C23H32 — CID 21043177

IUPAC1-[1-(3,5-diethylphenyl)propyl]-3,5-diethylbenzene
SMILESCCc1cc(CC)cc(C(CC)c2cc(CC)cc(CC)c2)c1
InChIInChI=1S/C23H32/c1-6-17-11-18(7-2)14-21(13-17)23(10-5)22-15-19(8-3)12-20(9-4)16-22/h11-16,23H,6-10H2,1-5H3
InChIKeyCCGROAHTVRSBNJ-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.48
Rot. Bonds7

About 1-[1-(3,5-diethylphenyl)propyl]-3,5-diethylbenzene

1-[1-(3,5-diethylphenyl)propyl]-3,5-diethylbenzene (PubChem CID 21043177) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-[1-(3,5-diethylphenyl)propyl]-3,5-diethylbenzene.

Molecular Properties

Compound Name1-[1-(3,5-diethylphenyl)propyl]-3,5-diethylbenzene
PubChem CID21043177
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name1-[1-(3,5-diethylphenyl)propyl]-3,5-diethylbenzene
SMILESCCc1cc(CC)cc(C(CC)c2cc(CC)cc(CC)c2)c1
InChIInChI=1S/C23H32/c1-6-17-11-18(7-2)14-21(13-17)23(10-5)22-15-19(8-3)12-20(9-4)16-22/h11-16,23H,6-10H2,1-5H3
InChIKeyCCGROAHTVRSBNJ-UHFFFAOYSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-diethylphenyl)propyl]-3,5-diethylbenzene?
The IUPAC name of 1-[1-(3,5-diethylphenyl)propyl]-3,5-diethylbenzene (CID 21043177) is 1-[1-(3,5-diethylphenyl)propyl]-3,5-diethylbenzene.
What is the SMILES notation for 1-[1-(3,5-diethylphenyl)propyl]-3,5-diethylbenzene?
The canonical SMILES for 1-[1-(3,5-diethylphenyl)propyl]-3,5-diethylbenzene is CCc1cc(CC)cc(C(CC)c2cc(CC)cc(CC)c2)c1.
What is the InChIKey of 1-[1-(3,5-diethylphenyl)propyl]-3,5-diethylbenzene?
The InChIKey is CCGROAHTVRSBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32/c1-6-17-11-18(7-2)14-21(13-17)23(10-5)22-15-19(8-3)12-20(9-4)16-22/h11-16,23H,6-10H2,1-5H3.
What are the key properties of 1-[1-(3,5-diethylphenyl)propyl]-3,5-diethylbenzene?
1-[1-(3,5-diethylphenyl)propyl]-3,5-diethylbenzene has a molecular weight of 308.51 g/mol, XLogP of 6.48, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-diethylphenyl)propyl]-3,5-diethylbenzene is sourced from PubChem (CID 21043177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).