1,3-dibutyl-2-phenylbenzene

C20H26 — CID 15421912

IUPAC1,3-dibutyl-2-phenylbenzene
SMILESCCCCc1cccc(CCCC)c1-c1ccccc1
InChIInChI=1S/C20H26/c1-3-5-11-17-15-10-16-18(12-6-4-2)20(17)19-13-8-7-9-14-19/h7-10,13-16H,3-6,11-12H2,1-2H3
InChIKeyKRKSEFJVWAJIAZ-UHFFFAOYSA-N
MW266.43 g/mol
LogP6.04
Rot. Bonds7

About 1,3-dibutyl-2-phenylbenzene

1,3-dibutyl-2-phenylbenzene (PubChem CID 15421912) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1,3-dibutyl-2-phenylbenzene.

Molecular Properties

Compound Name1,3-dibutyl-2-phenylbenzene
PubChem CID15421912
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name1,3-dibutyl-2-phenylbenzene
SMILESCCCCc1cccc(CCCC)c1-c1ccccc1
InChIInChI=1S/C20H26/c1-3-5-11-17-15-10-16-18(12-6-4-2)20(17)19-13-8-7-9-14-19/h7-10,13-16H,3-6,11-12H2,1-2H3
InChIKeyKRKSEFJVWAJIAZ-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

CID 66654402
CID 66654402
sodium;3-butyl-2-phenylphenol;hydride
CID 173461080
1-hexyl-2,3-diphenylbenzene
CID 54065322
(3-butyl-2-phenylphenyl) hydrogen sulfate
CID 66641312
CID 159940559
CID 159940559
1-hexyl-3-methyl-4-pentyl-2-phenylbenzene
CID 173075970
1,3-dibutyl-5-[4-(3,5-dibutylphenyl)phenyl]-2-[4-(4-phenylphenyl)phenyl]benzene
CID 90856384
[2-(2,6-dibutylphenyl)-3-phenylphenyl]phosphonous acid
CID 150627398
3-docosyl-2-phenylbenzenesulfonic acid
CID 175338328
(3-pentadecyl-2-phenylphenyl) hydrogen carbonate
CID 151877848
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
1-butyl-2-phenyl-3-(2-phenylethynyl)benzene;2-methylprop-2-enoic acid
CID 70021297

Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-2-phenylbenzene?
The IUPAC name of 1,3-dibutyl-2-phenylbenzene (CID 15421912) is 1,3-dibutyl-2-phenylbenzene.
What is the SMILES notation for 1,3-dibutyl-2-phenylbenzene?
The canonical SMILES for 1,3-dibutyl-2-phenylbenzene is CCCCc1cccc(CCCC)c1-c1ccccc1.
What is the InChIKey of 1,3-dibutyl-2-phenylbenzene?
The InChIKey is KRKSEFJVWAJIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-3-5-11-17-15-10-16-18(12-6-4-2)20(17)19-13-8-7-9-14-19/h7-10,13-16H,3-6,11-12H2,1-2H3.
What are the key properties of 1,3-dibutyl-2-phenylbenzene?
1,3-dibutyl-2-phenylbenzene 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 1,3-dibutyl-2-phenylbenzene is sourced from PubChem (CID 15421912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).