1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane

C14H24O2 — CID 158953080

IUPAC1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane
SMILESC.COc1ccc(CC(C)(C)C)c(OC)c1
InChIInChI=1S/C13H20O2.CH4/c1-13(2,3)9-10-6-7-11(14-4)8-12(10)15-5;/h6-8H,9H2,1-5H3;1H4
InChIKeyJLRDENOPLURHSY-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.93
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane

1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane (PubChem CID 158953080) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane
PubChem CID158953080
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane
SMILESC.COc1ccc(CC(C)(C)C)c(OC)c1
InChIInChI=1S/C13H20O2.CH4/c1-13(2,3)9-10-6-7-11(14-4)8-12(10)15-5;/h6-8H,9H2,1-5H3;1H4
InChIKeyJLRDENOPLURHSY-UHFFFAOYSA-N
XLogP3.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene
CID 82255129
1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene
CID 175463366
2-[(2,4-dimethoxyphenyl)methyl]-2-methylpropane-1,3-diol
CID 94687748
1-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propan-2-ol
CID 112501230
(2S)-2-amino-3-(2,4-dimethoxyphenyl)-2-methylpropanenitrile;hydrochloride
CID 141395494
1-(2,2-dimethylpropyl)-2-methoxy-4-(trifluoromethyl)benzene
CID 130220201
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
2-cyano-3-(2,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 82131291
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
1-decyl-2,4-dimethoxybenzene
CID 524862
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane?
The IUPAC name of 1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane (CID 158953080) is 1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane?
The canonical SMILES for 1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane is C.COc1ccc(CC(C)(C)C)c(OC)c1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane?
The InChIKey is JLRDENOPLURHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2.CH4/c1-13(2,3)9-10-6-7-11(14-4)8-12(10)15-5;/h6-8H,9H2,1-5H3;1H4.
What are the key properties of 1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane?
1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane has a molecular weight of 224.34 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane is sourced from PubChem (CID 158953080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).