1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane

C14H24O4 — CID 90686409

IUPAC1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane
SMILESCOCC(C)OC.COc1ccc(C)cc1OC
InChIInChI=1S/C9H12O2.C5H12O2/c1-7-4-5-8(10-2)9(6-7)11-3;1-5(7-3)4-6-2/h4-6H,1-3H3;5H,4H2,1-3H3
InChIKeyLZVYZRKMAPCDTK-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.68
Rot. Bonds5

About 1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane

1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane (PubChem CID 90686409) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane.

Molecular Properties

Compound Name1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane
PubChem CID90686409
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane
SMILESCOCC(C)OC.COc1ccc(C)cc1OC
InChIInChI=1S/C9H12O2.C5H12O2/c1-7-4-5-8(10-2)9(6-7)11-3;1-5(7-3)4-6-2/h4-6H,1-3H3;5H,4H2,1-3H3
InChIKeyLZVYZRKMAPCDTK-UHFFFAOYSA-N
XLogP2.68
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene
CID 70331927
4-(2-methoxy-4-methylphenoxy)pentan-2-amine
CID 64708300
1-[4-(4-acetyl-2-fluorophenyl)-3-fluorophenyl]ethanone;1-(3,5-diacetylphenyl)ethanone;1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane;1-(6-methoxynaphthalen-2-yl)ethanone;1-[4-(4-methoxyphenyl)phenyl]ethanone
CID 160899105
O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281
N'-hydroxy-3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide
CID 43368358
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene
CID 6424872
1-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]propan-2-amine
CID 43758410
3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide
CID 43368455
1,2-dimethoxypropane;thulium
CID 175866702
1,2-dimethoxypropane;holmium
CID 175853773
methyl 3-(2-methoxy-4-methylphenoxy)butanoate
CID 43536054

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane?
The IUPAC name of 1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane (CID 90686409) is 1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane.
What is the SMILES notation for 1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane?
The canonical SMILES for 1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane is COCC(C)OC.COc1ccc(C)cc1OC.
What is the InChIKey of 1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane?
The InChIKey is LZVYZRKMAPCDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.C5H12O2/c1-7-4-5-8(10-2)9(6-7)11-3;1-5(7-3)4-6-2/h4-6H,1-3H3;5H,4H2,1-3H3.
What are the key properties of 1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane?
1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane has a molecular weight of 256.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane is sourced from PubChem (CID 90686409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).