4,5-dimethoxy-2-methoxycarbonylbenzoic acid

C11H12O6 — CID 23423205

IUPAC4,5-dimethoxy-2-methoxycarbonylbenzoic acid
SMILESCOC(=O)c1cc(OC)c(OC)cc1C(=O)O
InChIInChI=1S/C11H12O6/c1-15-8-4-6(10(12)13)7(11(14)17-3)5-9(8)16-2/h4-5H,1-3H3,(H,12,13)
InChIKeyWJRYOIVXTOLVAE-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.19
Rot. Bonds4

About 4,5-dimethoxy-2-methoxycarbonylbenzoic acid

4,5-dimethoxy-2-methoxycarbonylbenzoic acid (PubChem CID 23423205) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is 4,5-dimethoxy-2-methoxycarbonylbenzoic acid.

Molecular Properties

Compound Name4,5-dimethoxy-2-methoxycarbonylbenzoic acid
PubChem CID23423205
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Name4,5-dimethoxy-2-methoxycarbonylbenzoic acid
SMILESCOC(=O)c1cc(OC)c(OC)cc1C(=O)O
InChIInChI=1S/C11H12O6/c1-15-8-4-6(10(12)13)7(11(14)17-3)5-9(8)16-2/h4-5H,1-3H3,(H,12,13)
InChIKeyWJRYOIVXTOLVAE-UHFFFAOYSA-N
XLogP1.19
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate
CID 10494700
2-carboxy-4,5-dimethoxyphenolate
CID 86306376
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate
CID 59569387
methyl 4,5-diiodo-2-methoxybenzoate
CID 130877100
2-hydrazinyl-4,5-dimethoxybenzoic acid;hydrochloride
CID 170985236
methyl 2-acetyl-4-hydroxy-5-methoxybenzoate
CID 58345568
methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate
CID 171032673
dimethyl 4,5-diaminobenzene-1,2-dicarboxylate
CID 14574480
methyl 2-anilino-4,5-dimethoxybenzoate
CID 71428699
4-(4-carboxy-3-methoxycarbonylphenyl)-2-methoxycarbonylbenzoic acid;dihydrochloride
CID 175770469
methyl 2,5-diamino-4-methoxybenzoate
CID 171030789

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-methoxycarbonylbenzoic acid?
The IUPAC name of 4,5-dimethoxy-2-methoxycarbonylbenzoic acid (CID 23423205) is 4,5-dimethoxy-2-methoxycarbonylbenzoic acid.
What is the SMILES notation for 4,5-dimethoxy-2-methoxycarbonylbenzoic acid?
The canonical SMILES for 4,5-dimethoxy-2-methoxycarbonylbenzoic acid is COC(=O)c1cc(OC)c(OC)cc1C(=O)O.
What is the InChIKey of 4,5-dimethoxy-2-methoxycarbonylbenzoic acid?
The InChIKey is WJRYOIVXTOLVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O6/c1-15-8-4-6(10(12)13)7(11(14)17-3)5-9(8)16-2/h4-5H,1-3H3,(H,12,13).
What are the key properties of 4,5-dimethoxy-2-methoxycarbonylbenzoic acid?
4,5-dimethoxy-2-methoxycarbonylbenzoic acid has a molecular weight of 240.21 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-methoxycarbonylbenzoic acid is sourced from PubChem (CID 23423205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).