1-[1-[2,3-dimethyl-1-(2-methylphenyl)butoxy]-2,3-dimethylbutyl]-2-methylbenzene

C26H38O — CID 169096953

IUPAC1-[1-[2,3-dimethyl-1-(2-methylphenyl)butoxy]-2,3-dimethylbutyl]-2-methylbenzene
SMILESCc1ccccc1C(OC(c1ccccc1C)C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C26H38O/c1-17(2)21(7)25(23-15-11-9-13-19(23)5)27-26(22(8)18(3)4)24-16-12-10-14-20(24)6/h9-18,21-22,25-26H,1-8H3
InChIKeyOFHZSTMINUKVRU-UHFFFAOYSA-N
MW366.59 g/mol
LogP7.69
Rot. Bonds8

About 1-[1-[2,3-dimethyl-1-(2-methylphenyl)butoxy]-2,3-dimethylbutyl]-2-methylbenzene

1-[1-[2,3-dimethyl-1-(2-methylphenyl)butoxy]-2,3-dimethylbutyl]-2-methylbenzene (PubChem CID 169096953) has the molecular formula C26H38O and a molecular weight of 366.59 g/mol. Its IUPAC name is 1-[1-[2,3-dimethyl-1-(2-methylphenyl)butoxy]-2,3-dimethylbutyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[1-[2,3-dimethyl-1-(2-methylphenyl)butoxy]-2,3-dimethylbutyl]-2-methylbenzene
PubChem CID169096953
Molecular FormulaC26H38O
Molecular Weight366.59 g/mol
Exact Mass366.29
IUPAC Name1-[1-[2,3-dimethyl-1-(2-methylphenyl)butoxy]-2,3-dimethylbutyl]-2-methylbenzene
SMILESCc1ccccc1C(OC(c1ccccc1C)C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C26H38O/c1-17(2)21(7)25(23-15-11-9-13-19(23)5)27-26(22(8)18(3)4)24-16-12-10-14-20(24)6/h9-18,21-22,25-26H,1-8H3
InChIKeyOFHZSTMINUKVRU-UHFFFAOYSA-N
XLogP7.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-(2-methyl-1-propan-2-yloxypropyl)benzene
CID 158625827
1-methyl-2-[2-methyl-1-(2-methylphenyl)propyl]benzene
CID 14267704
1-[di(propan-2-yloxy)methyl]-2-methylbenzene
CID 22034845
1-(1-chloro-2-methylpropyl)-2-methylbenzene
CID 67877325
(1R,2S)-1-methoxy-N,N-dimethyl-1-(2-methylphenyl)propan-2-amine
CID 23255913
(2S)-3-methyl-2-(2-methylphenyl)butanenitrile
CID 92978892
2-(2-methylphenyl)propylhydrazine
CID 130631257
O-[1-(2-methylphenyl)ethyl]hydroxylamine
CID 117104896
CID 19362082
CID 19362082
[2-methoxy-1-(2-methylphenyl)propyl] carbamate
CID 123675693
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
1-methyl-2-(3-methylpentan-2-yl)benzene
CID 23555669

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2,3-dimethyl-1-(2-methylphenyl)butoxy]-2,3-dimethylbutyl]-2-methylbenzene?
The IUPAC name of 1-[1-[2,3-dimethyl-1-(2-methylphenyl)butoxy]-2,3-dimethylbutyl]-2-methylbenzene (CID 169096953) is 1-[1-[2,3-dimethyl-1-(2-methylphenyl)butoxy]-2,3-dimethylbutyl]-2-methylbenzene.
What is the SMILES notation for 1-[1-[2,3-dimethyl-1-(2-methylphenyl)butoxy]-2,3-dimethylbutyl]-2-methylbenzene?
The canonical SMILES for 1-[1-[2,3-dimethyl-1-(2-methylphenyl)butoxy]-2,3-dimethylbutyl]-2-methylbenzene is Cc1ccccc1C(OC(c1ccccc1C)C(C)C(C)C)C(C)C(C)C.
What is the InChIKey of 1-[1-[2,3-dimethyl-1-(2-methylphenyl)butoxy]-2,3-dimethylbutyl]-2-methylbenzene?
The InChIKey is OFHZSTMINUKVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O/c1-17(2)21(7)25(23-15-11-9-13-19(23)5)27-26(22(8)18(3)4)24-16-12-10-14-20(24)6/h9-18,21-22,25-26H,1-8H3.
What are the key properties of 1-[1-[2,3-dimethyl-1-(2-methylphenyl)butoxy]-2,3-dimethylbutyl]-2-methylbenzene?
1-[1-[2,3-dimethyl-1-(2-methylphenyl)butoxy]-2,3-dimethylbutyl]-2-methylbenzene has a molecular weight of 366.59 g/mol, XLogP of 7.69, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2,3-dimethyl-1-(2-methylphenyl)butoxy]-2,3-dimethylbutyl]-2-methylbenzene is sourced from PubChem (CID 169096953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).