1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene

C11H16O3 — CID 116932273

IUPAC1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene
SMILESCOCc1c(C)cc(OC)cc1OC
InChIInChI=1S/C11H16O3/c1-8-5-9(13-3)6-11(14-4)10(8)7-12-2/h5-6H,7H2,1-4H3
InChIKeyPLEKHAVGFBJDQC-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.16
Rot. Bonds4

About 1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene

1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene (PubChem CID 116932273) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene.

Molecular Properties

Compound Name1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene
PubChem CID116932273
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene
SMILESCOCc1c(C)cc(OC)cc1OC
InChIInChI=1S/C11H16O3/c1-8-5-9(13-3)6-11(14-4)10(8)7-12-2/h5-6H,7H2,1-4H3
InChIKeyPLEKHAVGFBJDQC-UHFFFAOYSA-N
XLogP2.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethoxy-3-methyl-2-prop-2-enylbenzene
CID 55275341
2-(2,4-dimethoxy-6-methylphenyl)acetonitrile
CID 42638625
[2,4-dimethoxy-6-(methoxymethyl)phenyl]methanamine
CID 117301737
5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one
CID 116927802
2-(iodomethyl)-1,3,5-trimethoxybenzene
CID 10946751
(4-methoxy-2,6-dimethylphenyl)methanamine
CID 82266532
4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine
CID 116925176
2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]ethanethiol
CID 115224150
N-[(2,4-dimethoxy-6-methylphenyl)methyl]carbamoyl chloride
CID 115194702
2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline
CID 115258433
methyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate
CID 116927600
2-[(2,4-dimethoxy-6-methylphenyl)methylamino]propanenitrile
CID 115130211

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene?
The IUPAC name of 1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene (CID 116932273) is 1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene.
What is the SMILES notation for 1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene?
The canonical SMILES for 1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene is COCc1c(C)cc(OC)cc1OC.
What is the InChIKey of 1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene?
The InChIKey is PLEKHAVGFBJDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-8-5-9(13-3)6-11(14-4)10(8)7-12-2/h5-6H,7H2,1-4H3.
What are the key properties of 1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene?
1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene has a molecular weight of 196.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene is sourced from PubChem (CID 116932273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).