1-phenyl-4-(2-phenylbutyl)benzene

C22H22 — CID 57285163

IUPAC1-phenyl-4-(2-phenylbutyl)benzene
SMILESCCC(Cc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H22/c1-2-19(20-9-5-3-6-10-20)17-18-13-15-22(16-14-18)21-11-7-4-8-12-21/h3-16,19H,2,17H2,1H3
InChIKeyCEVTVOKKPOHRIY-UHFFFAOYSA-N
MW286.42 g/mol
LogP6.09
Rot. Bonds5

About 1-phenyl-4-(2-phenylbutyl)benzene

1-phenyl-4-(2-phenylbutyl)benzene (PubChem CID 57285163) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-phenyl-4-(2-phenylbutyl)benzene.

Molecular Properties

Compound Name1-phenyl-4-(2-phenylbutyl)benzene
PubChem CID57285163
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name1-phenyl-4-(2-phenylbutyl)benzene
SMILESCCC(Cc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H22/c1-2-19(20-9-5-3-6-10-20)17-18-13-15-22(16-14-18)21-11-7-4-8-12-21/h3-16,19H,2,17H2,1H3
InChIKeyCEVTVOKKPOHRIY-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
1-ethenyl-4-(2-phenylbutyl)benzene
CID 175031243
1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
1-(4-phenylphenyl)butan-2-amine
CID 23591877
1-(2-chloroethoxy)-4-(2-phenylbutyl)benzene
CID 90423215
azane;pentan-3-ylbenzene
CID 19774895
(2R)-1-(4-phenylphenyl)propan-2-ol
CID 92983269
1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene
CID 91475154
1-(2-ethylpentyl)-4-phenylbenzene
CID 90914165
N-methyl-1-(4-phenylphenyl)propan-2-amine
CID 82540674
1-(2-bromo-3-methylbutyl)-4-phenylbenzene
CID 82255011
1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene
CID 91287342

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(2-phenylbutyl)benzene?
The IUPAC name of 1-phenyl-4-(2-phenylbutyl)benzene (CID 57285163) is 1-phenyl-4-(2-phenylbutyl)benzene.
What is the SMILES notation for 1-phenyl-4-(2-phenylbutyl)benzene?
The canonical SMILES for 1-phenyl-4-(2-phenylbutyl)benzene is CCC(Cc1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 1-phenyl-4-(2-phenylbutyl)benzene?
The InChIKey is CEVTVOKKPOHRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-2-19(20-9-5-3-6-10-20)17-18-13-15-22(16-14-18)21-11-7-4-8-12-21/h3-16,19H,2,17H2,1H3.
What are the key properties of 1-phenyl-4-(2-phenylbutyl)benzene?
1-phenyl-4-(2-phenylbutyl)benzene has a molecular weight of 286.42 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(2-phenylbutyl)benzene is sourced from PubChem (CID 57285163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).