1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene

C20H26 — CID 91475154

IUPAC1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene
SMILESCCC(Cc1ccc(C)cc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H26/c1-5-18(14-17-8-6-16(4)7-9-17)20-12-10-19(11-13-20)15(2)3/h6-13,15,18H,5,14H2,1-4H3
InChIKeyAOIVNDSYHNYDBF-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.85
Rot. Bonds5

About 1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene

1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene (PubChem CID 91475154) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene
PubChem CID91475154
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene
SMILESCCC(Cc1ccc(C)cc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H26/c1-5-18(14-17-8-6-16(4)7-9-17)20-12-10-19(11-13-20)15(2)3/h6-13,15,18H,5,14H2,1-4H3
InChIKeyAOIVNDSYHNYDBF-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[3-chloro-2-(4-methylphenyl)propyl]-4-propan-2-ylbenzene
CID 79436182
4-methyl-N,N-bis(4-methylphenyl)aniline;4-methyl-N-[4-[3-methyl-2-(4-pentan-3-ylphenyl)butyl]phenyl]-N-(4-methylphenyl)aniline
CID 143848074
N-methyl-2,3-bis(4-methylphenyl)propan-1-amine
CID 79437244
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
1-phenyl-4-(2-phenylbutyl)benzene
CID 57285163
3,4-bis(4-methylphenyl)butane-1-thiol
CID 175037833
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
1-(4-propan-2-ylphenyl)pentane-2,3-diol
CID 103454563
1-[3-bromo-2-(3-methylphenyl)propyl]-4-propan-2-ylbenzene
CID 79423568
1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 11551268
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
CID 175953909

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene?
The IUPAC name of 1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene (CID 91475154) is 1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene.
What is the SMILES notation for 1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene?
The canonical SMILES for 1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene is CCC(Cc1ccc(C)cc1)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene?
The InChIKey is AOIVNDSYHNYDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-5-18(14-17-8-6-16(4)7-9-17)20-12-10-19(11-13-20)15(2)3/h6-13,15,18H,5,14H2,1-4H3.
What are the key properties of 1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene?
1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene has a molecular weight of 266.43 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene is sourced from PubChem (CID 91475154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).