1-butan-2-yl-4-[3-(3-methylphenyl)propyl]benzene

C20H26 — CID 123139231

IUPAC1-butan-2-yl-4-[3-(3-methylphenyl)propyl]benzene
SMILESCCC(C)c1ccc(CCCc2cccc(C)c2)cc1
InChIInChI=1S/C20H26/c1-4-17(3)20-13-11-18(12-14-20)8-6-10-19-9-5-7-16(2)15-19/h5,7,9,11-15,17H,4,6,8,10H2,1-3H3
InChIKeyPNALICXUCRWHSG-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.68
Rot. Bonds6

About 1-butan-2-yl-4-[3-(3-methylphenyl)propyl]benzene

1-butan-2-yl-4-[3-(3-methylphenyl)propyl]benzene (PubChem CID 123139231) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-butan-2-yl-4-[3-(3-methylphenyl)propyl]benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-[3-(3-methylphenyl)propyl]benzene
PubChem CID123139231
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name1-butan-2-yl-4-[3-(3-methylphenyl)propyl]benzene
SMILESCCC(C)c1ccc(CCCc2cccc(C)c2)cc1
InChIInChI=1S/C20H26/c1-4-17(3)20-13-11-18(12-14-20)8-6-10-19-9-5-7-16(2)15-19/h5,7,9,11-15,17H,4,6,8,10H2,1-3H3
InChIKeyPNALICXUCRWHSG-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butan-2-yl-3-[3-(4-butan-2-ylphenyl)propyl]benzene
CID 123964762
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
1-butan-2-yl-4-(3-chloropropyl)benzene
CID 116926644
1-methyl-3-(3-phenylbutyl)benzene
CID 173297999
6-(3-methylphenyl)hexan-3-ol
CID 64513249
ethane;1-methyl-3-pentylbenzene
CID 143267779
1-butyl-3-methylbenzene;ethane;propane
CID 142068173
1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene
CID 155693186
1-bromo-4-[9-(3-methylphenyl)nonyl]benzene
CID 123837284
5-(3-methylphenyl)pentan-2-amine
CID 64502928
4-(4-butan-2-ylphenyl)butyl-trimethylazanium
CID 121423161
1-butan-2-yl-4-(3-phenylpropoxy)benzene
CID 103601085

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[3-(3-methylphenyl)propyl]benzene?
The IUPAC name of 1-butan-2-yl-4-[3-(3-methylphenyl)propyl]benzene (CID 123139231) is 1-butan-2-yl-4-[3-(3-methylphenyl)propyl]benzene.
What is the SMILES notation for 1-butan-2-yl-4-[3-(3-methylphenyl)propyl]benzene?
The canonical SMILES for 1-butan-2-yl-4-[3-(3-methylphenyl)propyl]benzene is CCC(C)c1ccc(CCCc2cccc(C)c2)cc1.
What is the InChIKey of 1-butan-2-yl-4-[3-(3-methylphenyl)propyl]benzene?
The InChIKey is PNALICXUCRWHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-4-17(3)20-13-11-18(12-14-20)8-6-10-19-9-5-7-16(2)15-19/h5,7,9,11-15,17H,4,6,8,10H2,1-3H3.
What are the key properties of 1-butan-2-yl-4-[3-(3-methylphenyl)propyl]benzene?
1-butan-2-yl-4-[3-(3-methylphenyl)propyl]benzene has a molecular weight of 266.43 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[3-(3-methylphenyl)propyl]benzene is sourced from PubChem (CID 123139231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).