1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene

C12H18O2 — CID 20723728

IUPAC1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene
SMILESCOc1ccc(C(C)(C)OC)cc1C
InChIInChI=1S/C12H18O2/c1-9-8-10(12(2,3)14-5)6-7-11(9)13-4/h6-8H,1-5H3
InChIKeyXPFIZPWYGNIHDQ-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.89
Rot. Bonds3

About 1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene

1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene (PubChem CID 20723728) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene.

Molecular Properties

Compound Name1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene
PubChem CID20723728
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene
SMILESCOc1ccc(C(C)(C)OC)cc1C
InChIInChI=1S/C12H18O2/c1-9-8-10(12(2,3)14-5)6-7-11(9)13-4/h6-8H,1-5H3
InChIKeyXPFIZPWYGNIHDQ-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate
CID 116963053
(2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol
CID 97294196
2-(4-methoxy-3-methylphenyl)butan-2-amine
CID 82469033
(2R)-2-(4-methoxy-3-methylphenyl)pentan-2-ol
CID 97294322
2-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 82098466
(4-tert-butylphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080698
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
1-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 58660022
1-methoxy-4-[2-(4-methoxy-3-methylphenyl)decan-2-yl]-2-methylbenzene
CID 171057442
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-methylpropan-1-one
CID 116920361

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene?
The IUPAC name of 1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene (CID 20723728) is 1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene.
What is the SMILES notation for 1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene?
The canonical SMILES for 1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene is COc1ccc(C(C)(C)OC)cc1C.
What is the InChIKey of 1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene?
The InChIKey is XPFIZPWYGNIHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9-8-10(12(2,3)14-5)6-7-11(9)13-4/h6-8H,1-5H3.
What are the key properties of 1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene?
1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene has a molecular weight of 194.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene is sourced from PubChem (CID 20723728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).