1-butyl-2-[1-(2-butylphenyl)ethyl]benzene

C22H30 — CID 19828902

IUPAC1-butyl-2-[1-(2-butylphenyl)ethyl]benzene
SMILESCCCCc1ccccc1C(C)c1ccccc1CCCC
InChIInChI=1S/C22H30/c1-4-6-12-19-14-8-10-16-21(19)18(3)22-17-11-9-15-20(22)13-7-5-2/h8-11,14-18H,4-7,12-13H2,1-3H3
InChIKeyCEAQVIXUECDUKX-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.52
Rot. Bonds8

About 1-butyl-2-[1-(2-butylphenyl)ethyl]benzene

1-butyl-2-[1-(2-butylphenyl)ethyl]benzene (PubChem CID 19828902) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-butyl-2-[1-(2-butylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-butyl-2-[1-(2-butylphenyl)ethyl]benzene
PubChem CID19828902
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name1-butyl-2-[1-(2-butylphenyl)ethyl]benzene
SMILESCCCCc1ccccc1C(C)c1ccccc1CCCC
InChIInChI=1S/C22H30/c1-4-6-12-19-14-8-10-16-21(19)18(3)22-17-11-9-15-20(22)13-7-5-2/h8-11,14-18H,4-7,12-13H2,1-3H3
InChIKeyCEAQVIXUECDUKX-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-butyl-2-[1-(2-butylphenyl)ethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-butylphenyl)methylphosphane
CID 90110024
1-butan-2-yl-2-butylbenzene;ethane;propane
CID 144927563
1-pentadecyl-2-propan-2-ylbenzene;sulfane
CID 174904763
CID 159940559
CID 159940559
1-(difluoromethyl)-2-pentylbenzene
CID 162568517
1-butyl-2-[1-[1-(2-butylphenyl)butoxy]butyl]benzene
CID 139328587
1-butyl-2-(1-cyclohexylethyl)benzene
CID 139768984
CID 66774119
CID 66774119
potassium bis(2-butylphenyl)methanesulfonate
CID 139619690
2-butylbenzenethiol;trihydrofluoride
CID 173024842
1-butyl-2-propan-2-ylsulfanylbenzene
CID 142056517
1-(2-butylphenyl)propan-2-amine
CID 21117027

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[1-(2-butylphenyl)ethyl]benzene?
The IUPAC name of 1-butyl-2-[1-(2-butylphenyl)ethyl]benzene (CID 19828902) is 1-butyl-2-[1-(2-butylphenyl)ethyl]benzene.
What is the SMILES notation for 1-butyl-2-[1-(2-butylphenyl)ethyl]benzene?
The canonical SMILES for 1-butyl-2-[1-(2-butylphenyl)ethyl]benzene is CCCCc1ccccc1C(C)c1ccccc1CCCC.
What is the InChIKey of 1-butyl-2-[1-(2-butylphenyl)ethyl]benzene?
The InChIKey is CEAQVIXUECDUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-4-6-12-19-14-8-10-16-21(19)18(3)22-17-11-9-15-20(22)13-7-5-2/h8-11,14-18H,4-7,12-13H2,1-3H3.
What are the key properties of 1-butyl-2-[1-(2-butylphenyl)ethyl]benzene?
1-butyl-2-[1-(2-butylphenyl)ethyl]benzene has a molecular weight of 294.48 g/mol, XLogP of 6.52, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[1-(2-butylphenyl)ethyl]benzene is sourced from PubChem (CID 19828902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).