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

C28H42O — CID 139328587

IUPAC1-butyl-2-[1-[1-(2-butylphenyl)butoxy]butyl]benzene
SMILESCCCCc1ccccc1C(CCC)OC(CCC)c1ccccc1CCCC
InChIInChI=1S/C28H42O/c1-5-9-17-23-19-11-13-21-25(23)27(15-7-3)29-28(16-8-4)26-22-14-12-20-24(26)18-10-6-2/h11-14,19-22,27-28H,5-10,15-18H2,1-4H3
InChIKeyFNWNZDMYWOIYOH-UHFFFAOYSA-N
MW394.64 g/mol
LogP8.77
Rot. Bonds14

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

1-butyl-2-[1-[1-(2-butylphenyl)butoxy]butyl]benzene (PubChem CID 139328587) has the molecular formula C28H42O and a molecular weight of 394.64 g/mol. Its IUPAC name is 1-butyl-2-[1-[1-(2-butylphenyl)butoxy]butyl]benzene.

Molecular Properties

Compound Name1-butyl-2-[1-[1-(2-butylphenyl)butoxy]butyl]benzene
PubChem CID139328587
Molecular FormulaC28H42O
Molecular Weight394.64 g/mol
Exact Mass394.32
IUPAC Name1-butyl-2-[1-[1-(2-butylphenyl)butoxy]butyl]benzene
SMILESCCCCc1ccccc1C(CCC)OC(CCC)c1ccccc1CCCC
InChIInChI=1S/C28H42O/c1-5-9-17-23-19-11-13-21-25(23)27(15-7-3)29-28(16-8-4)26-22-14-12-20-24(26)18-10-6-2/h11-14,19-22,27-28H,5-10,15-18H2,1-4H3
InChIKeyFNWNZDMYWOIYOH-UHFFFAOYSA-N
XLogP8.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 66774119
CID 66774119
1-butyl-2-[1-(2-butylphenyl)ethyl]benzene
CID 19828902
bis(2-butylphenyl)methylphosphane
CID 90110024
1-butan-2-yl-2-butylbenzene;ethane;propane
CID 144927563
CID 159940559
CID 159940559
[1-(2-butylphenyl)-8-phenyloctyl] hydrogen carbonate
CID 67182432
1-(difluoromethyl)-2-pentylbenzene
CID 162568517
1-(2-hexadecylphenyl)heptadecan-1-amine
CID 70401648
1-pentadecyl-2-propan-2-ylbenzene;sulfane
CID 174904763
potassium bis(2-butylphenyl)methanesulfonate
CID 139619690
[1-(2-pentylphenyl)-9-phenylnonyl] hydrogen carbonate
CID 67178814
2-butylbenzenethiol;trihydrofluoride
CID 173024842

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[1-[1-(2-butylphenyl)butoxy]butyl]benzene?
The IUPAC name of 1-butyl-2-[1-[1-(2-butylphenyl)butoxy]butyl]benzene (CID 139328587) is 1-butyl-2-[1-[1-(2-butylphenyl)butoxy]butyl]benzene.
What is the SMILES notation for 1-butyl-2-[1-[1-(2-butylphenyl)butoxy]butyl]benzene?
The canonical SMILES for 1-butyl-2-[1-[1-(2-butylphenyl)butoxy]butyl]benzene is CCCCc1ccccc1C(CCC)OC(CCC)c1ccccc1CCCC.
What is the InChIKey of 1-butyl-2-[1-[1-(2-butylphenyl)butoxy]butyl]benzene?
The InChIKey is FNWNZDMYWOIYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O/c1-5-9-17-23-19-11-13-21-25(23)27(15-7-3)29-28(16-8-4)26-22-14-12-20-24(26)18-10-6-2/h11-14,19-22,27-28H,5-10,15-18H2,1-4H3.
What are the key properties of 1-butyl-2-[1-[1-(2-butylphenyl)butoxy]butyl]benzene?
1-butyl-2-[1-[1-(2-butylphenyl)butoxy]butyl]benzene has a molecular weight of 394.64 g/mol, XLogP of 8.77, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[1-[1-(2-butylphenyl)butoxy]butyl]benzene is sourced from PubChem (CID 139328587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).