1-(2,6-dimethylphenyl)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzene

C20H26O — CID 59637050

IUPAC1-(2,6-dimethylphenyl)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzene
SMILESCc1ccc(-c2c(C)cccc2C)c(C)c1OC(C)(C)C
InChIInChI=1S/C20H26O/c1-13-9-8-10-14(2)18(13)17-12-11-15(3)19(16(17)4)21-20(5,6)7/h8-12H,1-7H3
InChIKeyUWLYGAHRGAHSKH-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.76
Rot. Bonds2

About 1-(2,6-dimethylphenyl)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzene

1-(2,6-dimethylphenyl)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 59637050) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID59637050
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name1-(2,6-dimethylphenyl)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzene
SMILESCc1ccc(-c2c(C)cccc2C)c(C)c1OC(C)(C)C
InChIInChI=1S/C20H26O/c1-13-9-8-10-14(2)18(13)17-12-11-15(3)19(16(17)4)21-20(5,6)7/h8-12H,1-7H3
InChIKeyUWLYGAHRGAHSKH-UHFFFAOYSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1-(2,6-dimethylphenyl)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzene (CID 59637050) is 1-(2,6-dimethylphenyl)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1-(2,6-dimethylphenyl)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzene is Cc1ccc(-c2c(C)cccc2C)c(C)c1OC(C)(C)C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is UWLYGAHRGAHSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-13-9-8-10-14(2)18(13)17-12-11-15(3)19(16(17)4)21-20(5,6)7/h8-12H,1-7H3.
What are the key properties of 1-(2,6-dimethylphenyl)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzene?
1-(2,6-dimethylphenyl)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 282.43 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 59637050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).