5-(dimethoxymethyl)-1,2,3-trimethoxybenzene

C12H18O5 — CID 4193578

IUPAC5-(dimethoxymethyl)-1,2,3-trimethoxybenzene
SMILESCOc1cc(C(OC)OC)cc(OC)c1OC
InChIInChI=1S/C12H18O5/c1-13-9-6-8(12(16-4)17-5)7-10(14-2)11(9)15-3/h6-7,12H,1-5H3
InChIKeyPEZMUQHWXSFOIK-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.00
Rot. Bonds6

About 5-(dimethoxymethyl)-1,2,3-trimethoxybenzene

5-(dimethoxymethyl)-1,2,3-trimethoxybenzene (PubChem CID 4193578) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-(dimethoxymethyl)-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-(dimethoxymethyl)-1,2,3-trimethoxybenzene
PubChem CID4193578
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name5-(dimethoxymethyl)-1,2,3-trimethoxybenzene
SMILESCOc1cc(C(OC)OC)cc(OC)c1OC
InChIInChI=1S/C12H18O5/c1-13-9-6-8(12(16-4)17-5)7-10(14-2)11(9)15-3/h6-7,12H,1-5H3
InChIKeyPEZMUQHWXSFOIK-UHFFFAOYSA-N
XLogP2.00
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethoxymethyl)-1,2,3-trimethoxybenzene?
The IUPAC name of 5-(dimethoxymethyl)-1,2,3-trimethoxybenzene (CID 4193578) is 5-(dimethoxymethyl)-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-(dimethoxymethyl)-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-(dimethoxymethyl)-1,2,3-trimethoxybenzene is COc1cc(C(OC)OC)cc(OC)c1OC.
What is the InChIKey of 5-(dimethoxymethyl)-1,2,3-trimethoxybenzene?
The InChIKey is PEZMUQHWXSFOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c1-13-9-6-8(12(16-4)17-5)7-10(14-2)11(9)15-3/h6-7,12H,1-5H3.
What are the key properties of 5-(dimethoxymethyl)-1,2,3-trimethoxybenzene?
5-(dimethoxymethyl)-1,2,3-trimethoxybenzene has a molecular weight of 242.27 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxymethyl)-1,2,3-trimethoxybenzene is sourced from PubChem (CID 4193578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).