methyl 2,6-dihydroxybenzoate

C8H8O4 — CID 519869

IUPACmethyl 2,6-dihydroxybenzoate
SMILESCOC(=O)c1c(O)cccc1O
InChIInChI=1S/C8H8O4/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4,9-10H,1H3
InChIKeyWCQZCKUNZVMBDC-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.88
Rot. Bonds1

About methyl 2,6-dihydroxybenzoate

methyl 2,6-dihydroxybenzoate (PubChem CID 519869) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is methyl 2,6-dihydroxybenzoate.

Molecular Properties

Compound Namemethyl 2,6-dihydroxybenzoate
PubChem CID519869
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Namemethyl 2,6-dihydroxybenzoate
SMILESCOC(=O)c1c(O)cccc1O
InChIInChI=1S/C8H8O4/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4,9-10H,1H3
InChIKeyWCQZCKUNZVMBDC-UHFFFAOYSA-N
XLogP0.88
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,6-dihydroxybenzoate?
The IUPAC name of methyl 2,6-dihydroxybenzoate (CID 519869) is methyl 2,6-dihydroxybenzoate.
What is the SMILES notation for methyl 2,6-dihydroxybenzoate?
The canonical SMILES for methyl 2,6-dihydroxybenzoate is COC(=O)c1c(O)cccc1O.
What is the InChIKey of methyl 2,6-dihydroxybenzoate?
The InChIKey is WCQZCKUNZVMBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4,9-10H,1H3.
What are the key properties of methyl 2,6-dihydroxybenzoate?
methyl 2,6-dihydroxybenzoate has a molecular weight of 168.15 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-dihydroxybenzoate is sourced from PubChem (CID 519869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).