1-butyl-2-(3-butylphenyl)benzene

C20H26 — CID 142022154

IUPAC1-butyl-2-(3-butylphenyl)benzene
SMILESCCCCc1cccc(-c2ccccc2CCCC)c1
InChIInChI=1S/C20H26/c1-3-5-10-17-11-9-14-19(16-17)20-15-8-7-13-18(20)12-6-4-2/h7-9,11,13-16H,3-6,10,12H2,1-2H3
InChIKeyCJRLHDYHXHEYDX-UHFFFAOYSA-N
MW266.43 g/mol
LogP6.04
Rot. Bonds7

About 1-butyl-2-(3-butylphenyl)benzene

1-butyl-2-(3-butylphenyl)benzene (PubChem CID 142022154) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-butyl-2-(3-butylphenyl)benzene.

Molecular Properties

Compound Name1-butyl-2-(3-butylphenyl)benzene
PubChem CID142022154
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name1-butyl-2-(3-butylphenyl)benzene
SMILESCCCCc1cccc(-c2ccccc2CCCC)c1
InChIInChI=1S/C20H26/c1-3-5-10-17-11-9-14-19(16-17)20-15-8-7-13-18(20)12-6-4-2/h7-9,11,13-16H,3-6,10,12H2,1-2H3
InChIKeyCJRLHDYHXHEYDX-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-2-(3-methylphenyl)benzene
CID 174352877
1-methyl-3-(2-pentylphenyl)benzene
CID 54116278
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
2-(2-butylphenyl)naphthalene
CID 58626566
1-methyl-2-(3-propylphenyl)benzene
CID 143365994
gold;1-pentyl-2-phenylbenzene
CID 174945702
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
1-hexyl-3-(2-propan-2-ylphenyl)benzene
CID 173321287
1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium
CID 174532098
1-(2-butylphenyl)-3-(4-butylphenyl)-2-methylbenzene
CID 156826942
2-[3-(2-butylphenyl)phenyl]-5-methylpyridine
CID 140633735
1-butyl-3-(4-pentylphenyl)benzene
CID 123269594

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(3-butylphenyl)benzene?
The IUPAC name of 1-butyl-2-(3-butylphenyl)benzene (CID 142022154) is 1-butyl-2-(3-butylphenyl)benzene.
What is the SMILES notation for 1-butyl-2-(3-butylphenyl)benzene?
The canonical SMILES for 1-butyl-2-(3-butylphenyl)benzene is CCCCc1cccc(-c2ccccc2CCCC)c1.
What is the InChIKey of 1-butyl-2-(3-butylphenyl)benzene?
The InChIKey is CJRLHDYHXHEYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-3-5-10-17-11-9-14-19(16-17)20-15-8-7-13-18(20)12-6-4-2/h7-9,11,13-16H,3-6,10,12H2,1-2H3.
What are the key properties of 1-butyl-2-(3-butylphenyl)benzene?
1-butyl-2-(3-butylphenyl)benzene has a molecular weight of 266.43 g/mol, XLogP of 6.04, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(3-butylphenyl)benzene is sourced from PubChem (CID 142022154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).