1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene

C12H18O3 — CID 20549048

IUPAC1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene
SMILESCOc1cc(C)c(C(OC)OC)cc1C
InChIInChI=1S/C12H18O3/c1-8-7-11(13-3)9(2)6-10(8)12(14-4)15-5/h6-7,12H,1-5H3
InChIKeyOANGSVWHDZVGPM-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.60
Rot. Bonds4

About 1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene

1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene (PubChem CID 20549048) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene
PubChem CID20549048
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene
SMILESCOc1cc(C)c(C(OC)OC)cc1C
InChIInChI=1S/C12H18O3/c1-8-7-11(13-3)9(2)6-10(8)12(14-4)15-5/h6-7,12H,1-5H3
InChIKeyOANGSVWHDZVGPM-UHFFFAOYSA-N
XLogP2.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.60
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

methoxy-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116947261
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077546
3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077547
1-(4-methoxy-2,5-dimethylphenyl)-N,N',N'-trimethylmethanediamine
CID 116909230
(3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032704
2-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
CID 82077691
methoxy-(2-methoxy-4,5-dimethylphenyl)methanamine
CID 116947260
1-methoxy-2-methyl-5-propan-2-yl-4-propan-2-yloxybenzene
CID 134182068

Frequently Asked Questions

What is the IUPAC name of 1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene?
The IUPAC name of 1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene (CID 20549048) is 1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene.
What is the SMILES notation for 1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene?
The canonical SMILES for 1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene is COc1cc(C)c(C(OC)OC)cc1C.
What is the InChIKey of 1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene?
The InChIKey is OANGSVWHDZVGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-8-7-11(13-3)9(2)6-10(8)12(14-4)15-5/h6-7,12H,1-5H3.
What are the key properties of 1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene?
1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene has a molecular weight of 210.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene is sourced from PubChem (CID 20549048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).