2,3,4,5,6-pentamethoxybenzoic acid

C12H16O7 — CID 623385

IUPAC2,3,4,5,6-pentamethoxybenzoic acid
SMILESCOc1c(OC)c(OC)c(C(=O)O)c(OC)c1OC
InChIInChI=1S/C12H16O7/c1-15-7-6(12(13)14)8(16-2)10(18-4)11(19-5)9(7)17-3/h1-5H3,(H,13,14)
InChIKeyCZSNYGCWYYXNDN-UHFFFAOYSA-N
MW272.25 g/mol
LogP1.43
Rot. Bonds6

About 2,3,4,5,6-pentamethoxybenzoic acid

2,3,4,5,6-pentamethoxybenzoic acid (PubChem CID 623385) has the molecular formula C12H16O7 and a molecular weight of 272.25 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethoxybenzoic acid.

Molecular Properties

Compound Name2,3,4,5,6-pentamethoxybenzoic acid
PubChem CID623385
Molecular FormulaC12H16O7
Molecular Weight272.25 g/mol
Exact Mass272.09
IUPAC Name2,3,4,5,6-pentamethoxybenzoic acid
SMILESCOc1c(OC)c(OC)c(C(=O)O)c(OC)c1OC
InChIInChI=1S/C12H16O7/c1-15-7-6(12(13)14)8(16-2)10(18-4)11(19-5)9(7)17-3/h1-5H3,(H,13,14)
InChIKeyCZSNYGCWYYXNDN-UHFFFAOYSA-N
XLogP1.43
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dichloro-2,6-dimethoxy-4-methylbenzoic acid
CID 13202156
1,3,4-trimethoxy-8-methylnaphthalene-2-carboxylic acid
CID 68764858
2,4,6-triiodo-5-methoxybenzene-1,3-dicarboxylic acid
CID 158140857
3,6-dihydroxy-2-methoxybenzoic acid
CID 15647609
6-amino-2,3,4-trimethoxybenzoic acid
CID 13036392
6-fluoro-2-methoxy-3-methylbenzoic acid
CID 84659421
2-(2-carboxy-3,4-dimethoxyphenyl)-3,4,5,6-tetramethoxybenzoic acid
CID 22420303
1,2,4,5-tetramethoxyphenanthrene-3-carboxylic acid
CID 174558814
3-hydroxy-5-methoxy-2,4,6-trimethylbenzoic acid
CID 146683483
2,3-dihydroxy-4,5-dimethoxy-6-methylbenzoic acid
CID 87859670
6-amino-4-fluoro-2,3-dimethoxybenzoic acid
CID 84783720
2,4,5-trifluoro-6-methoxy-3-methylbenzoic acid
CID 23284714

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethoxybenzoic acid?
The IUPAC name of 2,3,4,5,6-pentamethoxybenzoic acid (CID 623385) is 2,3,4,5,6-pentamethoxybenzoic acid.
What is the SMILES notation for 2,3,4,5,6-pentamethoxybenzoic acid?
The canonical SMILES for 2,3,4,5,6-pentamethoxybenzoic acid is COc1c(OC)c(OC)c(C(=O)O)c(OC)c1OC.
What is the InChIKey of 2,3,4,5,6-pentamethoxybenzoic acid?
The InChIKey is CZSNYGCWYYXNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O7/c1-15-7-6(12(13)14)8(16-2)10(18-4)11(19-5)9(7)17-3/h1-5H3,(H,13,14).
What are the key properties of 2,3,4,5,6-pentamethoxybenzoic acid?
2,3,4,5,6-pentamethoxybenzoic acid has a molecular weight of 272.25 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethoxybenzoic acid is sourced from PubChem (CID 623385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).