2,4,6-trimethoxybenzene-1,3,5-triol

C9H12O6 — CID 102382483

IUPAC2,4,6-trimethoxybenzene-1,3,5-triol
SMILESCOc1c(O)c(OC)c(O)c(OC)c1O
InChIInChI=1S/C9H12O6/c1-13-7-4(10)8(14-2)6(12)9(15-3)5(7)11/h10-12H,1-3H3
InChIKeyZZZVQFULIMCMEP-UHFFFAOYSA-N
MW216.19 g/mol
LogP0.83
Rot. Bonds3

About 2,4,6-trimethoxybenzene-1,3,5-triol

2,4,6-trimethoxybenzene-1,3,5-triol (PubChem CID 102382483) has the molecular formula C9H12O6 and a molecular weight of 216.19 g/mol. Its IUPAC name is 2,4,6-trimethoxybenzene-1,3,5-triol.

Molecular Properties

Compound Name2,4,6-trimethoxybenzene-1,3,5-triol
PubChem CID102382483
Molecular FormulaC9H12O6
Molecular Weight216.19 g/mol
Exact Mass216.06
IUPAC Name2,4,6-trimethoxybenzene-1,3,5-triol
SMILESCOc1c(O)c(OC)c(O)c(OC)c1O
InChIInChI=1S/C9H12O6/c1-13-7-4(10)8(14-2)6(12)9(15-3)5(7)11/h10-12H,1-3H3
InChIKeyZZZVQFULIMCMEP-UHFFFAOYSA-N
XLogP0.83
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethoxybenzene-1,3,5-triol?
The IUPAC name of 2,4,6-trimethoxybenzene-1,3,5-triol (CID 102382483) is 2,4,6-trimethoxybenzene-1,3,5-triol.
What is the SMILES notation for 2,4,6-trimethoxybenzene-1,3,5-triol?
The canonical SMILES for 2,4,6-trimethoxybenzene-1,3,5-triol is COc1c(O)c(OC)c(O)c(OC)c1O.
What is the InChIKey of 2,4,6-trimethoxybenzene-1,3,5-triol?
The InChIKey is ZZZVQFULIMCMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O6/c1-13-7-4(10)8(14-2)6(12)9(15-3)5(7)11/h10-12H,1-3H3.
What are the key properties of 2,4,6-trimethoxybenzene-1,3,5-triol?
2,4,6-trimethoxybenzene-1,3,5-triol has a molecular weight of 216.19 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethoxybenzene-1,3,5-triol is sourced from PubChem (CID 102382483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).