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

C23H32 — CID 123964762

IUPAC1-butan-2-yl-3-[3-(4-butan-2-ylphenyl)propyl]benzene
SMILESCCC(C)c1ccc(CCCc2cccc(C(C)CC)c2)cc1
InChIInChI=1S/C23H32/c1-5-18(3)22-15-13-20(14-16-22)9-7-10-21-11-8-12-23(17-21)19(4)6-2/h8,11-19H,5-7,9-10H2,1-4H3
InChIKeyNCDNXXCRIFGRLK-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.89
Rot. Bonds8

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

1-butan-2-yl-3-[3-(4-butan-2-ylphenyl)propyl]benzene (PubChem CID 123964762) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-butan-2-yl-3-[3-(4-butan-2-ylphenyl)propyl]benzene.

Molecular Properties

Compound Name1-butan-2-yl-3-[3-(4-butan-2-ylphenyl)propyl]benzene
PubChem CID123964762
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name1-butan-2-yl-3-[3-(4-butan-2-ylphenyl)propyl]benzene
SMILESCCC(C)c1ccc(CCCc2cccc(C(C)CC)c2)cc1
InChIInChI=1S/C23H32/c1-5-18(3)22-15-13-20(14-16-22)9-7-10-21-11-8-12-23(17-21)19(4)6-2/h8,11-19H,5-7,9-10H2,1-4H3
InChIKeyNCDNXXCRIFGRLK-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-butan-2-yl-4-(3-phenylpropoxy)benzene
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1-benzyl-3-butan-2-ylbenzene
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1-decan-2-yl-3-octylbenzene
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1-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)propyl]benzene
CID 155096208
4-(4-butan-2-ylphenyl)butyl-trimethylazanium
CID 121423161
1-butan-2-yl-4-(2-chloroethyl)benzene
CID 82255556
6-(4-butan-2-ylphenyl)-N-methylhexan-1-amine
CID 65308641
4-[3-[3-(2,2-dimethylpentan-3-yl)phenyl]propyl]benzenethiol;ethane
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1-(3-methylpentyl)-3-propan-2-ylbenzene
CID 168942891

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[3-(4-butan-2-ylphenyl)propyl]benzene?
The IUPAC name of 1-butan-2-yl-3-[3-(4-butan-2-ylphenyl)propyl]benzene (CID 123964762) is 1-butan-2-yl-3-[3-(4-butan-2-ylphenyl)propyl]benzene.
What is the SMILES notation for 1-butan-2-yl-3-[3-(4-butan-2-ylphenyl)propyl]benzene?
The canonical SMILES for 1-butan-2-yl-3-[3-(4-butan-2-ylphenyl)propyl]benzene is CCC(C)c1ccc(CCCc2cccc(C(C)CC)c2)cc1.
What is the InChIKey of 1-butan-2-yl-3-[3-(4-butan-2-ylphenyl)propyl]benzene?
The InChIKey is NCDNXXCRIFGRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32/c1-5-18(3)22-15-13-20(14-16-22)9-7-10-21-11-8-12-23(17-21)19(4)6-2/h8,11-19H,5-7,9-10H2,1-4H3.
What are the key properties of 1-butan-2-yl-3-[3-(4-butan-2-ylphenyl)propyl]benzene?
1-butan-2-yl-3-[3-(4-butan-2-ylphenyl)propyl]benzene has a molecular weight of 308.51 g/mol, XLogP of 6.89, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[3-(4-butan-2-ylphenyl)propyl]benzene is sourced from PubChem (CID 123964762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).