2-(2-carboxy-3,4-dimethoxyphenyl)-3,4,5,6-tetramethoxybenzoic acid

C20H22O10 — CID 22420303

IUPAC2-(2-carboxy-3,4-dimethoxyphenyl)-3,4,5,6-tetramethoxybenzoic acid
SMILESCOc1ccc(-c2c(OC)c(OC)c(OC)c(OC)c2C(=O)O)c(C(=O)O)c1OC
InChIInChI=1S/C20H22O10/c1-25-10-8-7-9(12(19(21)22)14(10)26-2)11-13(20(23)24)16(28-4)18(30-6)17(29-5)15(11)27-3/h7-8H,1-6H3,(H,21,22)(H,23,24)
InChIKeyFOBVSJDRLCAJJU-UHFFFAOYSA-N
MW422.39 g/mol
LogP2.80
Rot. Bonds9

About 2-(2-carboxy-3,4-dimethoxyphenyl)-3,4,5,6-tetramethoxybenzoic acid

2-(2-carboxy-3,4-dimethoxyphenyl)-3,4,5,6-tetramethoxybenzoic acid (PubChem CID 22420303) has the molecular formula C20H22O10 and a molecular weight of 422.39 g/mol. Its IUPAC name is 2-(2-carboxy-3,4-dimethoxyphenyl)-3,4,5,6-tetramethoxybenzoic acid.

Molecular Properties

Compound Name2-(2-carboxy-3,4-dimethoxyphenyl)-3,4,5,6-tetramethoxybenzoic acid
PubChem CID22420303
Molecular FormulaC20H22O10
Molecular Weight422.39 g/mol
Exact Mass422.12
IUPAC Name2-(2-carboxy-3,4-dimethoxyphenyl)-3,4,5,6-tetramethoxybenzoic acid
SMILESCOc1ccc(-c2c(OC)c(OC)c(OC)c(OC)c2C(=O)O)c(C(=O)O)c1OC
InChIInChI=1S/C20H22O10/c1-25-10-8-7-9(12(19(21)22)14(10)26-2)11-13(20(23)24)16(28-4)18(30-6)17(29-5)15(11)27-3/h7-8H,1-6H3,(H,21,22)(H,23,24)
InChIKeyFOBVSJDRLCAJJU-UHFFFAOYSA-N
XLogP2.80
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-bromo-2,3-dimethoxybenzoic acid
CID 11054430
6-carbamoyl-2,3-dimethoxybenzoic acid
CID 90976735
2,6-dimethoxy-3-phenylbenzoic acid
CID 68897922
2,3,4,5,6-pentamethoxybenzoic acid
CID 623385
3-iodo-2,6-dimethoxybenzoic acid
CID 13493770
2-(2,3,4-trimethoxyphenyl)-1H-indole-3-carboxylic acid
CID 45032309
6-[2-(hydroxymethyl)phenyl]-3-methoxy-2-methylperoxybenzoic acid
CID 141217061
6-(6-hydroxy-5-oxo-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-10-yl)-2,3-dimethoxybenzoic acid
CID 91638654
2,3-dimethoxy-6-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-yl]benzoic acid
CID 154570969
(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
CID 175021550
methyl 2,6-dimethoxy-3-phenylbenzoate
CID 142664398
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxy-3,4-dimethoxyphenyl)-3,4,5,6-tetramethoxybenzoic acid?
The IUPAC name of 2-(2-carboxy-3,4-dimethoxyphenyl)-3,4,5,6-tetramethoxybenzoic acid (CID 22420303) is 2-(2-carboxy-3,4-dimethoxyphenyl)-3,4,5,6-tetramethoxybenzoic acid.
What is the SMILES notation for 2-(2-carboxy-3,4-dimethoxyphenyl)-3,4,5,6-tetramethoxybenzoic acid?
The canonical SMILES for 2-(2-carboxy-3,4-dimethoxyphenyl)-3,4,5,6-tetramethoxybenzoic acid is COc1ccc(-c2c(OC)c(OC)c(OC)c(OC)c2C(=O)O)c(C(=O)O)c1OC.
What is the InChIKey of 2-(2-carboxy-3,4-dimethoxyphenyl)-3,4,5,6-tetramethoxybenzoic acid?
The InChIKey is FOBVSJDRLCAJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O10/c1-25-10-8-7-9(12(19(21)22)14(10)26-2)11-13(20(23)24)16(28-4)18(30-6)17(29-5)15(11)27-3/h7-8H,1-6H3,(H,21,22)(H,23,24).
What are the key properties of 2-(2-carboxy-3,4-dimethoxyphenyl)-3,4,5,6-tetramethoxybenzoic acid?
2-(2-carboxy-3,4-dimethoxyphenyl)-3,4,5,6-tetramethoxybenzoic acid has a molecular weight of 422.39 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxy-3,4-dimethoxyphenyl)-3,4,5,6-tetramethoxybenzoic acid is sourced from PubChem (CID 22420303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).