2,4-dibutyl-1-(2-phenylpropyl)benzene

C23H32 — CID 141434105

IUPAC2,4-dibutyl-1-(2-phenylpropyl)benzene
SMILESCCCCc1ccc(CC(C)c2ccccc2)c(CCCC)c1
InChIInChI=1S/C23H32/c1-4-6-11-20-15-16-23(22(18-20)12-7-5-2)17-19(3)21-13-9-8-10-14-21/h8-10,13-16,18-19H,4-7,11-12,17H2,1-3H3
InChIKeyDWISRIBFBVEEQF-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.72
Rot. Bonds9

About 2,4-dibutyl-1-(2-phenylpropyl)benzene

2,4-dibutyl-1-(2-phenylpropyl)benzene (PubChem CID 141434105) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is 2,4-dibutyl-1-(2-phenylpropyl)benzene.

Molecular Properties

Compound Name2,4-dibutyl-1-(2-phenylpropyl)benzene
PubChem CID141434105
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name2,4-dibutyl-1-(2-phenylpropyl)benzene
SMILESCCCCc1ccc(CC(C)c2ccccc2)c(CCCC)c1
InChIInChI=1S/C23H32/c1-4-6-11-20-15-16-23(22(18-20)12-7-5-2)17-19(3)21-13-9-8-10-14-21/h8-10,13-16,18-19H,4-7,11-12,17H2,1-3H3
InChIKeyDWISRIBFBVEEQF-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibutyl-1-(2-phenylpropyl)benzene?
The IUPAC name of 2,4-dibutyl-1-(2-phenylpropyl)benzene (CID 141434105) is 2,4-dibutyl-1-(2-phenylpropyl)benzene.
What is the SMILES notation for 2,4-dibutyl-1-(2-phenylpropyl)benzene?
The canonical SMILES for 2,4-dibutyl-1-(2-phenylpropyl)benzene is CCCCc1ccc(CC(C)c2ccccc2)c(CCCC)c1.
What is the InChIKey of 2,4-dibutyl-1-(2-phenylpropyl)benzene?
The InChIKey is DWISRIBFBVEEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32/c1-4-6-11-20-15-16-23(22(18-20)12-7-5-2)17-19(3)21-13-9-8-10-14-21/h8-10,13-16,18-19H,4-7,11-12,17H2,1-3H3.
What are the key properties of 2,4-dibutyl-1-(2-phenylpropyl)benzene?
2,4-dibutyl-1-(2-phenylpropyl)benzene has a molecular weight of 308.51 g/mol, XLogP of 6.72, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibutyl-1-(2-phenylpropyl)benzene is sourced from PubChem (CID 141434105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).