2-(2,2-dimethylpropyl)-1,3-dimethoxy-5-methylbenzene

C14H22O2 — CID 59743812

IUPAC2-(2,2-dimethylpropyl)-1,3-dimethoxy-5-methylbenzene
SMILESCOc1cc(C)cc(OC)c1CC(C)(C)C
InChIInChI=1S/C14H22O2/c1-10-7-12(15-5)11(9-14(2,3)4)13(8-10)16-6/h7-8H,9H2,1-6H3
InChIKeyIZJPJWOZWLTFIM-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.60
Rot. Bonds3

About 2-(2,2-dimethylpropyl)-1,3-dimethoxy-5-methylbenzene

2-(2,2-dimethylpropyl)-1,3-dimethoxy-5-methylbenzene (PubChem CID 59743812) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1,3-dimethoxy-5-methylbenzene.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1,3-dimethoxy-5-methylbenzene
PubChem CID59743812
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-(2,2-dimethylpropyl)-1,3-dimethoxy-5-methylbenzene
SMILESCOc1cc(C)cc(OC)c1CC(C)(C)C
InChIInChI=1S/C14H22O2/c1-10-7-12(15-5)11(9-14(2,3)4)13(8-10)16-6/h7-8H,9H2,1-6H3
InChIKeyIZJPJWOZWLTFIM-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine
CID 82470482
(2,6-dimethoxy-4-methylphenyl)methanamine
CID 58024962
1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene
CID 86017681
2-ethyl-1-methoxy-3,5-dimethylbenzene;propane
CID 170973865
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839
N-[(2,6-dimethoxy-4-methylphenyl)methyl]propan-2-amine
CID 145435829
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidine
CID 166722775
2-ethyl-3-methoxy-5-methylbenzonitrile
CID 121227165
2-(2-bromo-6-methoxy-4-methylphenyl)ethanol
CID 11436497
1-(2-chloro-6-methoxy-4-methylphenyl)-N-methylmethanamine
CID 84775565
2,2-dimethyl-3-(2,4,6-trimethoxyphenyl)propanenitrile
CID 116927675

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-1,3-dimethoxy-5-methylbenzene?
The IUPAC name of 2-(2,2-dimethylpropyl)-1,3-dimethoxy-5-methylbenzene (CID 59743812) is 2-(2,2-dimethylpropyl)-1,3-dimethoxy-5-methylbenzene.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1,3-dimethoxy-5-methylbenzene?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1,3-dimethoxy-5-methylbenzene is COc1cc(C)cc(OC)c1CC(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1,3-dimethoxy-5-methylbenzene?
The InChIKey is IZJPJWOZWLTFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10-7-12(15-5)11(9-14(2,3)4)13(8-10)16-6/h7-8H,9H2,1-6H3.
What are the key properties of 2-(2,2-dimethylpropyl)-1,3-dimethoxy-5-methylbenzene?
2-(2,2-dimethylpropyl)-1,3-dimethoxy-5-methylbenzene has a molecular weight of 222.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1,3-dimethoxy-5-methylbenzene is sourced from PubChem (CID 59743812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).