3,4,5-trimethoxybenzoic acid

C10H12O5 — CID 8357

IUPAC3,4,5-trimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(OC)c1OC
InChIInChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
InChIKeySJSOFNCYXJUNBT-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.41
Rot. Bonds4

About 3,4,5-trimethoxybenzoic acid

3,4,5-trimethoxybenzoic acid (PubChem CID 8357) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 3,4,5-trimethoxybenzoic acid.

Molecular Properties

Compound Name3,4,5-trimethoxybenzoic acid
PubChem CID8357
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name3,4,5-trimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(OC)c1OC
InChIInChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
InChIKeySJSOFNCYXJUNBT-UHFFFAOYSA-N
XLogP1.41
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxybenzoic acid?
The IUPAC name of 3,4,5-trimethoxybenzoic acid (CID 8357) is 3,4,5-trimethoxybenzoic acid.
What is the SMILES notation for 3,4,5-trimethoxybenzoic acid?
The canonical SMILES for 3,4,5-trimethoxybenzoic acid is COc1cc(C(=O)O)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxybenzoic acid?
The InChIKey is SJSOFNCYXJUNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12).
What are the key properties of 3,4,5-trimethoxybenzoic acid?
3,4,5-trimethoxybenzoic acid has a molecular weight of 212.20 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxybenzoic acid is sourced from PubChem (CID 8357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).