1,3-dimethoxy-2-(methoxymethyl)benzene

C10H14O3 — CID 86183606

IUPAC1,3-dimethoxy-2-(methoxymethyl)benzene
SMILESCOCc1c(OC)cccc1OC
InChIInChI=1S/C10H14O3/c1-11-7-8-9(12-2)5-4-6-10(8)13-3/h4-6H,7H2,1-3H3
InChIKeyLMEGMPADJPPFMN-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.85
Rot. Bonds4

About 1,3-dimethoxy-2-(methoxymethyl)benzene

1,3-dimethoxy-2-(methoxymethyl)benzene (PubChem CID 86183606) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1,3-dimethoxy-2-(methoxymethyl)benzene.

Molecular Properties

Compound Name1,3-dimethoxy-2-(methoxymethyl)benzene
PubChem CID86183606
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1,3-dimethoxy-2-(methoxymethyl)benzene
SMILESCOCc1c(OC)cccc1OC
InChIInChI=1S/C10H14O3/c1-11-7-8-9(12-2)5-4-6-10(8)13-3/h4-6H,7H2,1-3H3
InChIKeyLMEGMPADJPPFMN-UHFFFAOYSA-N
XLogP1.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-(methoxymethyl)benzoic acid
CID 59838599
1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol
CID 117297699
1-[[3-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
CID 117316180
[1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117377419
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
3,6-dimethoxy-2-(methoxymethyl)benzaldehyde
CID 10512624
1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene
CID 10989047
1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethanol
CID 117325541
2-butyl-1,3-dimethoxybenzene
CID 524840
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
2-bromo-4-methoxy-3-(methoxymethyl)benzaldehyde
CID 174699052
1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117386547

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2-(methoxymethyl)benzene?
The IUPAC name of 1,3-dimethoxy-2-(methoxymethyl)benzene (CID 86183606) is 1,3-dimethoxy-2-(methoxymethyl)benzene.
What is the SMILES notation for 1,3-dimethoxy-2-(methoxymethyl)benzene?
The canonical SMILES for 1,3-dimethoxy-2-(methoxymethyl)benzene is COCc1c(OC)cccc1OC.
What is the InChIKey of 1,3-dimethoxy-2-(methoxymethyl)benzene?
The InChIKey is LMEGMPADJPPFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-11-7-8-9(12-2)5-4-6-10(8)13-3/h4-6H,7H2,1-3H3.
What are the key properties of 1,3-dimethoxy-2-(methoxymethyl)benzene?
1,3-dimethoxy-2-(methoxymethyl)benzene has a molecular weight of 182.22 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-2-(methoxymethyl)benzene is sourced from PubChem (CID 86183606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).