2-methoxybenzene-1,3,5-triol

C7H8O4 — CID 4303263

IUPAC2-methoxybenzene-1,3,5-triol
SMILESCOc1c(O)cc(O)cc1O
InChIInChI=1S/C7H8O4/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3,8-10H,1H3
InChIKeyASTPOGDWGNJVEW-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.81
Rot. Bonds1

About 2-methoxybenzene-1,3,5-triol

2-methoxybenzene-1,3,5-triol (PubChem CID 4303263) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-methoxybenzene-1,3,5-triol.

Molecular Properties

Compound Name2-methoxybenzene-1,3,5-triol
PubChem CID4303263
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name2-methoxybenzene-1,3,5-triol
SMILESCOc1c(O)cc(O)cc1O
InChIInChI=1S/C7H8O4/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3,8-10H,1H3
InChIKeyASTPOGDWGNJVEW-UHFFFAOYSA-N
XLogP0.81
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxybenzene-1,3,5-triol?
The IUPAC name of 2-methoxybenzene-1,3,5-triol (CID 4303263) is 2-methoxybenzene-1,3,5-triol.
What is the SMILES notation for 2-methoxybenzene-1,3,5-triol?
The canonical SMILES for 2-methoxybenzene-1,3,5-triol is COc1c(O)cc(O)cc1O.
What is the InChIKey of 2-methoxybenzene-1,3,5-triol?
The InChIKey is ASTPOGDWGNJVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3,8-10H,1H3.
What are the key properties of 2-methoxybenzene-1,3,5-triol?
2-methoxybenzene-1,3,5-triol has a molecular weight of 156.14 g/mol, XLogP of 0.81, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxybenzene-1,3,5-triol is sourced from PubChem (CID 4303263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).