1-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene

C12H18O2 — CID 58660022

IUPAC1-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESCOc1ccc(OC(C)(C)C)cc1C
InChIInChI=1S/C12H18O2/c1-9-8-10(14-12(2,3)4)6-7-11(9)13-5/h6-8H,1-5H3
InChIKeyNQTRZXZILBZPBJ-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.18
Rot. Bonds2

About 1-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene

1-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 58660022) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID58660022
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESCOc1ccc(OC(C)(C)C)cc1C
InChIInChI=1S/C12H18O2/c1-9-8-10(14-12(2,3)4)6-7-11(9)13-5/h6-8H,1-5H3
InChIKeyNQTRZXZILBZPBJ-UHFFFAOYSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-2,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]benzene
CID 67518349
2-methoxy-6-[(2-methylpropan-2-yl)oxy]naphthalene
CID 155296690
1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene
CID 159369138
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
lithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
CID 173243510
1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene
CID 20723728
2-chloro-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 118299415
(4-methoxy-3-methylphenyl) methanesulfonate
CID 88542122
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
1-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylbenzene;praseodymium
CID 177190391
2-methoxy-4,6-dimethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidine
CID 118445649
4-[2-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,5-dimethylpyridazine
CID 118445645

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene (CID 58660022) is 1-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene is COc1ccc(OC(C)(C)C)cc1C.
What is the InChIKey of 1-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is NQTRZXZILBZPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9-8-10(14-12(2,3)4)6-7-11(9)13-5/h6-8H,1-5H3.
What are the key properties of 1-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene?
1-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 194.27 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 58660022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).