2,4,5-trimethoxybenzoic acid

C10H12O5 — CID 10276

IUPAC2,4,5-trimethoxybenzoic acid
SMILESCOc1cc(OC)c(C(=O)O)cc1OC
InChIInChI=1S/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12)
InChIKeyKVZUCOGWKYOPID-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.41
Rot. Bonds4

About 2,4,5-trimethoxybenzoic acid

2,4,5-trimethoxybenzoic acid (PubChem CID 10276) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2,4,5-trimethoxybenzoic acid.

Molecular Properties

Compound Name2,4,5-trimethoxybenzoic acid
PubChem CID10276
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name2,4,5-trimethoxybenzoic acid
SMILESCOc1cc(OC)c(C(=O)O)cc1OC
InChIInChI=1S/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12)
InChIKeyKVZUCOGWKYOPID-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 2,4,5-trimethoxybenzoic acid?
The IUPAC name of 2,4,5-trimethoxybenzoic acid (CID 10276) is 2,4,5-trimethoxybenzoic acid.
What is the SMILES notation for 2,4,5-trimethoxybenzoic acid?
The canonical SMILES for 2,4,5-trimethoxybenzoic acid is COc1cc(OC)c(C(=O)O)cc1OC.
What is the InChIKey of 2,4,5-trimethoxybenzoic acid?
The InChIKey is KVZUCOGWKYOPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12).
What are the key properties of 2,4,5-trimethoxybenzoic acid?
2,4,5-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 2,4,5-trimethoxybenzoic acid is sourced from PubChem (CID 10276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).