1-(1,3-diphenylbutyl)-3-ethylbenzene

C24H26 — CID 3024351

IUPAC1-(1,3-diphenylbutyl)-3-ethylbenzene
SMILESCCc1cccc(C(CC(C)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H26/c1-3-20-11-10-16-23(18-20)24(22-14-8-5-9-15-22)17-19(2)21-12-6-4-7-13-21/h4-16,18-19,24H,3,17H2,1-2H3
InChIKeyRLZRRIOPWXPUDM-UHFFFAOYSA-N
MW314.47 g/mol
LogP6.57
Rot. Bonds6

About 1-(1,3-diphenylbutyl)-3-ethylbenzene

1-(1,3-diphenylbutyl)-3-ethylbenzene (PubChem CID 3024351) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-(1,3-diphenylbutyl)-3-ethylbenzene.

Molecular Properties

Compound Name1-(1,3-diphenylbutyl)-3-ethylbenzene
PubChem CID3024351
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name1-(1,3-diphenylbutyl)-3-ethylbenzene
SMILESCCc1cccc(C(CC(C)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H26/c1-3-20-11-10-16-23(18-20)24(22-14-8-5-9-15-22)17-19(2)21-12-6-4-7-13-21/h4-16,18-19,24H,3,17H2,1-2H3
InChIKeyRLZRRIOPWXPUDM-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diphenylbutyl)-3-ethylbenzene?
The IUPAC name of 1-(1,3-diphenylbutyl)-3-ethylbenzene (CID 3024351) is 1-(1,3-diphenylbutyl)-3-ethylbenzene.
What is the SMILES notation for 1-(1,3-diphenylbutyl)-3-ethylbenzene?
The canonical SMILES for 1-(1,3-diphenylbutyl)-3-ethylbenzene is CCc1cccc(C(CC(C)c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-(1,3-diphenylbutyl)-3-ethylbenzene?
The InChIKey is RLZRRIOPWXPUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26/c1-3-20-11-10-16-23(18-20)24(22-14-8-5-9-15-22)17-19(2)21-12-6-4-7-13-21/h4-16,18-19,24H,3,17H2,1-2H3.
What are the key properties of 1-(1,3-diphenylbutyl)-3-ethylbenzene?
1-(1,3-diphenylbutyl)-3-ethylbenzene has a molecular weight of 314.47 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diphenylbutyl)-3-ethylbenzene is sourced from PubChem (CID 3024351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).