1-(diethoxymethoxy)-4-methylbenzene

C12H18O3 — CID 86206447

IUPAC1-(diethoxymethoxy)-4-methylbenzene
SMILESCCOC(OCC)Oc1ccc(C)cc1
InChIInChI=1S/C12H18O3/c1-4-13-12(14-5-2)15-11-8-6-10(3)7-9-11/h6-9,12H,4-5H2,1-3H3
InChIKeySPSNQONPKHFHDO-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.73
Rot. Bonds6

About 1-(diethoxymethoxy)-4-methylbenzene

1-(diethoxymethoxy)-4-methylbenzene (PubChem CID 86206447) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(diethoxymethoxy)-4-methylbenzene.

Molecular Properties

Compound Name1-(diethoxymethoxy)-4-methylbenzene
PubChem CID86206447
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-(diethoxymethoxy)-4-methylbenzene
SMILESCCOC(OCC)Oc1ccc(C)cc1
InChIInChI=1S/C12H18O3/c1-4-13-12(14-5-2)15-11-8-6-10(3)7-9-11/h6-9,12H,4-5H2,1-3H3
InChIKeySPSNQONPKHFHDO-UHFFFAOYSA-N
XLogP2.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-[ethoxy(methoxy)methoxy]benzene
CID 54505010
1-ethenyl-4-[ethoxy-(4-methylphenyl)methoxy]benzene
CID 70042387
ethoxy-diethyl-(4-methylphenoxy)phosphanium
CID 175002684
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
1-(1-butoxyethoxy)-4-methylbenzene
CID 91451977
1-(2-cyclohexyl-1-ethoxyethoxy)-4-methylbenzene
CID 90367452
ethyl 2-(4-methylphenoxy)butanoate
CID 64662052
N,N-dimethyl-2-(4-methylphenoxy)propan-1-amine
CID 89477371
1-[(1R)-1-ethoxyethyl]-4-methylbenzene
CID 11130348
3,3-bis(4-methylphenoxy)propylphosphane
CID 155662806
1-butan-2-yl-4-(1-ethoxypropoxy)benzene;1-butan-2-yl-4-methylbenzene;4-butan-2-ylphenol
CID 91131838
3-(4-methylphenoxy)pentanethioamide
CID 43368539

Frequently Asked Questions

What is the IUPAC name of 1-(diethoxymethoxy)-4-methylbenzene?
The IUPAC name of 1-(diethoxymethoxy)-4-methylbenzene (CID 86206447) is 1-(diethoxymethoxy)-4-methylbenzene.
What is the SMILES notation for 1-(diethoxymethoxy)-4-methylbenzene?
The canonical SMILES for 1-(diethoxymethoxy)-4-methylbenzene is CCOC(OCC)Oc1ccc(C)cc1.
What is the InChIKey of 1-(diethoxymethoxy)-4-methylbenzene?
The InChIKey is SPSNQONPKHFHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-4-13-12(14-5-2)15-11-8-6-10(3)7-9-11/h6-9,12H,4-5H2,1-3H3.
What are the key properties of 1-(diethoxymethoxy)-4-methylbenzene?
1-(diethoxymethoxy)-4-methylbenzene has a molecular weight of 210.27 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethoxymethoxy)-4-methylbenzene is sourced from PubChem (CID 86206447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).