2,4-dimethoxybenzoic acid

C18H20O8 — CID 67450326

IUPAC2,4-dimethoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(OC)c1.COc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/2C9H10O4/c2*1-12-6-3-4-7(9(10)11)8(5-6)13-2/h2*3-5H,1-2H3,(H,10,11)
InChIKeyOYTDHNYTTHZJGT-UHFFFAOYSA-N
MW364.35 g/mol
LogP2.80
Rot. Bonds6

About 2,4-dimethoxybenzoic acid

2,4-dimethoxybenzoic acid (PubChem CID 67450326) has the molecular formula C18H20O8 and a molecular weight of 364.35 g/mol. Its IUPAC name is 2,4-dimethoxybenzoic acid.

Molecular Properties

Compound Name2,4-dimethoxybenzoic acid
PubChem CID67450326
Molecular FormulaC18H20O8
Molecular Weight364.35 g/mol
Exact Mass364.12
IUPAC Name2,4-dimethoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(OC)c1.COc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/2C9H10O4/c2*1-12-6-3-4-7(9(10)11)8(5-6)13-2/h2*3-5H,1-2H3,(H,10,11)
InChIKeyOYTDHNYTTHZJGT-UHFFFAOYSA-N
XLogP2.80
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethoxybenzoic acid
CID 7052
5-bromo-2,4-dimethoxybenzoic acid;2,4-dimethoxybenzoic acid
CID 158809754
2,4-dimethoxybenzoate
CID 6947027
4-methoxy-2-pyridin-4-yloxybenzoic acid
CID 58236553
2-(dimethylcarbamothioyloxy)-4-methoxybenzoic acid
CID 88601716
2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid
CID 81309181
2-(2,4-dimethoxyphenyl)-2-hydroxyethenone
CID 86181378
(2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate
CID 171476388
2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid
CID 61379603
4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid
CID 81308953
4-methoxy-2-(3-methylbut-2-enoxy)benzoic acid
CID 60693202
2-but-2-enoxy-4-methoxybenzoic acid
CID 61379318

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxybenzoic acid?
The IUPAC name of 2,4-dimethoxybenzoic acid (CID 67450326) is 2,4-dimethoxybenzoic acid.
What is the SMILES notation for 2,4-dimethoxybenzoic acid?
The canonical SMILES for 2,4-dimethoxybenzoic acid is COc1ccc(C(=O)O)c(OC)c1.COc1ccc(C(=O)O)c(OC)c1.
What is the InChIKey of 2,4-dimethoxybenzoic acid?
The InChIKey is OYTDHNYTTHZJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10O4/c2*1-12-6-3-4-7(9(10)11)8(5-6)13-2/h2*3-5H,1-2H3,(H,10,11).
What are the key properties of 2,4-dimethoxybenzoic acid?
2,4-dimethoxybenzoic acid has a molecular weight of 364.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxybenzoic acid is sourced from PubChem (CID 67450326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).