1-[2-[2-(2,4-dimethylphenyl)propan-2-yloxy]propan-2-yl]-2,4-dimethylbenzene

C22H30O — CID 170152443

IUPAC1-[2-[2-(2,4-dimethylphenyl)propan-2-yloxy]propan-2-yl]-2,4-dimethylbenzene
SMILESCc1ccc(C(C)(C)OC(C)(C)c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C22H30O/c1-15-9-11-19(17(3)13-15)21(5,6)23-22(7,8)20-12-10-16(2)14-18(20)4/h9-14H,1-8H3
InChIKeyLKEZGVWKUZCKJI-UHFFFAOYSA-N
MW310.48 g/mol
LogP6.11
Rot. Bonds4

About 1-[2-[2-(2,4-dimethylphenyl)propan-2-yloxy]propan-2-yl]-2,4-dimethylbenzene

1-[2-[2-(2,4-dimethylphenyl)propan-2-yloxy]propan-2-yl]-2,4-dimethylbenzene (PubChem CID 170152443) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-[2-[2-(2,4-dimethylphenyl)propan-2-yloxy]propan-2-yl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[2-[2-(2,4-dimethylphenyl)propan-2-yloxy]propan-2-yl]-2,4-dimethylbenzene
PubChem CID170152443
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name1-[2-[2-(2,4-dimethylphenyl)propan-2-yloxy]propan-2-yl]-2,4-dimethylbenzene
SMILESCc1ccc(C(C)(C)OC(C)(C)c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C22H30O/c1-15-9-11-19(17(3)13-15)21(5,6)23-22(7,8)20-12-10-16(2)14-18(20)4/h9-14H,1-8H3
InChIKeyLKEZGVWKUZCKJI-UHFFFAOYSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 19090109
methyl 2-(2,4-dimethylphenyl)-2-fluoropropanoate
CID 105464025
1-(2-isocyanopropan-2-yl)-2,4-dimethylbenzene
CID 149234798
1-cyclopropyl-1-(2,4-dimethylphenyl)ethanol
CID 62801339
4-(tert-butylamino)-2-(2,4-dimethylphenyl)butan-2-ol
CID 66001267
2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine
CID 115259147
2-(2,4-dimethylphenyl)-2-hydroxypropanal
CID 66040527
1-(2,4-dimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839374
1-(2,4-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 62802991
methyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate
CID 62214661
[2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid
CID 115171380
1-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)ethanol
CID 62801838

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,4-dimethylphenyl)propan-2-yloxy]propan-2-yl]-2,4-dimethylbenzene?
The IUPAC name of 1-[2-[2-(2,4-dimethylphenyl)propan-2-yloxy]propan-2-yl]-2,4-dimethylbenzene (CID 170152443) is 1-[2-[2-(2,4-dimethylphenyl)propan-2-yloxy]propan-2-yl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[2-[2-(2,4-dimethylphenyl)propan-2-yloxy]propan-2-yl]-2,4-dimethylbenzene?
The canonical SMILES for 1-[2-[2-(2,4-dimethylphenyl)propan-2-yloxy]propan-2-yl]-2,4-dimethylbenzene is Cc1ccc(C(C)(C)OC(C)(C)c2ccc(C)cc2C)c(C)c1.
What is the InChIKey of 1-[2-[2-(2,4-dimethylphenyl)propan-2-yloxy]propan-2-yl]-2,4-dimethylbenzene?
The InChIKey is LKEZGVWKUZCKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-15-9-11-19(17(3)13-15)21(5,6)23-22(7,8)20-12-10-16(2)14-18(20)4/h9-14H,1-8H3.
What are the key properties of 1-[2-[2-(2,4-dimethylphenyl)propan-2-yloxy]propan-2-yl]-2,4-dimethylbenzene?
1-[2-[2-(2,4-dimethylphenyl)propan-2-yloxy]propan-2-yl]-2,4-dimethylbenzene has a molecular weight of 310.48 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,4-dimethylphenyl)propan-2-yloxy]propan-2-yl]-2,4-dimethylbenzene is sourced from PubChem (CID 170152443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).