1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane

C24H38 — CID 91220313

IUPAC1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane
SMILESCC.CC.Cc1ccc(C(C)C(C)c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C20H26.2C2H6/c1-13-7-9-19(15(3)11-13)17(5)18(6)20-10-8-14(2)12-16(20)4;2*1-2/h7-12,17-18H,1-6H3;2*1-2H3
InChIKeyUUJCOCOJLRMDLK-UHFFFAOYSA-N
MW326.57 g/mol
LogP7.88
Rot. Bonds3

About 1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane

1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane (PubChem CID 91220313) has the molecular formula C24H38 and a molecular weight of 326.57 g/mol. Its IUPAC name is 1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane.

Molecular Properties

Compound Name1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane
PubChem CID91220313
Molecular FormulaC24H38
Molecular Weight326.57 g/mol
Exact Mass326.30
IUPAC Name1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane
SMILESCC.CC.Cc1ccc(C(C)C(C)c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C20H26.2C2H6/c1-13-7-9-19(15(3)11-13)17(5)18(6)20-10-8-14(2)12-16(20)4;2*1-2/h7-12,17-18H,1-6H3;2*1-2H3
InChIKeyUUJCOCOJLRMDLK-UHFFFAOYSA-N
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(2,4-dimethylphenyl)-N,N-dimethylbutan-2-amine
CID 137390997
2,4-dimethyl-1-(3-methylhept-4-yn-2-yl)benzene
CID 83928049
2,4-dimethyl-1-[1-(2-methylphenyl)ethyl]benzene
CID 54473191
1-[1-(2,4-dimethylphenyl)ethyl]-2,3,4-trimethylbenzene
CID 173435517
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine
CID 130067534
2,4-dimethyl-1-(1-nitrosoethyl)benzene
CID 91440985
(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol
CID 131023872
4-(2,4-dimethylphenyl)pentan-2-amine
CID 64721851
bis((2S,3S)-3-(2,4-dimethylphenyl)butan-2-ol);[(2R,3R)-3-(2,4-dimethylphenyl)butan-2-yl] acetate
CID 158031655
1-bromo-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 116961880
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
1-heptan-4-yl-2,4-dimethylbenzene
CID 142336118

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane?
The IUPAC name of 1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane (CID 91220313) is 1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane.
What is the SMILES notation for 1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane?
The canonical SMILES for 1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane is CC.CC.Cc1ccc(C(C)C(C)c2ccc(C)cc2C)c(C)c1.
What is the InChIKey of 1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane?
The InChIKey is UUJCOCOJLRMDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26.2C2H6/c1-13-7-9-19(15(3)11-13)17(5)18(6)20-10-8-14(2)12-16(20)4;2*1-2/h7-12,17-18H,1-6H3;2*1-2H3.
What are the key properties of 1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane?
1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane has a molecular weight of 326.57 g/mol, XLogP of 7.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane is sourced from PubChem (CID 91220313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).