1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene

C20H26 — CID 19990134

IUPAC1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene
SMILESCCCC(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C20H26/c1-6-7-20(18-10-14(2)8-15(3)11-18)19-12-16(4)9-17(5)13-19/h8-13,20H,6-7H2,1-5H3
InChIKeyBAQBIEWBJGWCPJ-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.85
Rot. Bonds4

About 1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene

1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene (PubChem CID 19990134) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene
PubChem CID19990134
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene
SMILESCCCC(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C20H26/c1-6-7-20(18-10-14(2)8-15(3)11-18)19-12-16(4)9-17(5)13-19/h8-13,20H,6-7H2,1-5H3
InChIKeyBAQBIEWBJGWCPJ-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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

4-[1-(4-hydroxy-3,5-dimethylphenyl)butyl]-2,6-dimethylphenol
CID 15570439
1-(3,5-dimethylphenyl)-2-methylpentan-1-ol
CID 63901831
1-(3-amino-5-methylphenyl)butan-1-ol
CID 131048981
1,3-dimethyl-5-octan-3-ylbenzene
CID 19963892
(1R)-1-(3,5-dimethylphenyl)hexan-1-amine
CID 171202167
1-(3-fluoro-5-methylphenyl)pentane-1,2-diol
CID 103454916
1,3-dimethyl-5-tetradecan-2-ylbenzene
CID 54014931
1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
CID 145157940
2-(3,5-dimethylphenyl)-N,3-dimethylhexan-1-amine
CID 107887092
2-(3,5-dimethylphenyl)-N-propylhexan-3-amine
CID 83050812
5-(1-phenylbutyl)benzene-1,3-diol
CID 151074904
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
CID 22019961

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene?
The IUPAC name of 1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene (CID 19990134) is 1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene is CCCC(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1.
What is the InChIKey of 1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene?
The InChIKey is BAQBIEWBJGWCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-6-7-20(18-10-14(2)8-15(3)11-18)19-12-16(4)9-17(5)13-19/h8-13,20H,6-7H2,1-5H3.
What are the key properties of 1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene?
1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene has a molecular weight of 266.43 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene is sourced from PubChem (CID 19990134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).