1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene

C12H18O2 — CID 70331927

IUPAC1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene
SMILESCOC[C@@H](C)Oc1ccc(C)cc1C
InChIInChI=1S/C12H18O2/c1-9-5-6-12(10(2)7-9)14-11(3)8-13-4/h5-7,11H,8H2,1-4H3/t11-/m1/s1
InChIKeyZFIAEVXNZWYYTA-LLVKDONJSA-N
MW194.27 g/mol
LogP2.72
Rot. Bonds4

About 1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene

1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene (PubChem CID 70331927) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene
PubChem CID70331927
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene
SMILESCOC[C@@H](C)Oc1ccc(C)cc1C
InChIInChI=1S/C12H18O2/c1-9-5-6-12(10(2)7-9)14-11(3)8-13-4/h5-7,11H,8H2,1-4H3/t11-/m1/s1
InChIKeyZFIAEVXNZWYYTA-LLVKDONJSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenoxy)propan-1-ol
CID 82075061
1-butan-2-yloxy-2,4-dimethylbenzene;ethane
CID 142890016
2-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 62571165
N-[1-[2-(1-methoxypropan-2-yloxy)-5-methylphenyl]ethylidene]hydroxylamine
CID 77020729
4-(2,4-dimethylphenoxy)-N-methylpentan-2-amine
CID 64707879
1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane
CID 90686409
3-(2,4-dimethylphenoxy)butanamide
CID 82077472
1-(1-methoxypropan-2-yloxy)-4-methylbenzene
CID 64765827
2-amino-4-(2,4-dimethylphenoxy)-2-methylpentan-1-ol
CID 64802229
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
2-methoxy-4-[(2R)-1-methoxypropan-2-yl]oxy-1-methylbenzene
CID 70331911
1-methoxy-2,4-dimethylbenzene;propane
CID 54037455

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene?
The IUPAC name of 1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene (CID 70331927) is 1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene.
What is the SMILES notation for 1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene?
The canonical SMILES for 1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene is COC[C@@H](C)Oc1ccc(C)cc1C.
What is the InChIKey of 1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene?
The InChIKey is ZFIAEVXNZWYYTA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18O2/c1-9-5-6-12(10(2)7-9)14-11(3)8-13-4/h5-7,11H,8H2,1-4H3/t11-/m1/s1.
What are the key properties of 1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene?
1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene has a molecular weight of 194.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene is sourced from PubChem (CID 70331927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).