2-iodo-3-methoxybenzoic acid;3-methoxybenzoic acid

C16H15IO6 — CID 21217723

IUPAC2-iodo-3-methoxybenzoic acid;3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1.COc1cccc(C(=O)O)c1I
InChIInChI=1S/C8H7IO3.C8H8O3/c1-12-6-4-2-3-5(7(6)9)8(10)11;1-11-7-4-2-3-6(5-7)8(9)10/h2-4H,1H3,(H,10,11);2-5H,1H3,(H,9,10)
InChIKeyWNMPKPPHINFZIC-UHFFFAOYSA-N
MW430.19 g/mol
LogP3.39
Rot. Bonds4

About 2-iodo-3-methoxybenzoic acid;3-methoxybenzoic acid

2-iodo-3-methoxybenzoic acid;3-methoxybenzoic acid (PubChem CID 21217723) has the molecular formula C16H15IO6 and a molecular weight of 430.19 g/mol. Its IUPAC name is 2-iodo-3-methoxybenzoic acid;3-methoxybenzoic acid.

Molecular Properties

Compound Name2-iodo-3-methoxybenzoic acid;3-methoxybenzoic acid
PubChem CID21217723
Molecular FormulaC16H15IO6
Molecular Weight430.19 g/mol
Exact Mass429.99
IUPAC Name2-iodo-3-methoxybenzoic acid;3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1.COc1cccc(C(=O)O)c1I
InChIInChI=1S/C8H7IO3.C8H8O3/c1-12-6-4-2-3-5(7(6)9)8(10)11;1-11-7-4-2-3-6(5-7)8(9)10/h2-4H,1H3,(H,10,11);2-5H,1H3,(H,9,10)
InChIKeyWNMPKPPHINFZIC-UHFFFAOYSA-N
XLogP3.39
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.19
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-iodo-3-methoxybenzoic acid;3-methoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-iodo-3-methoxyphenyl)-phenylmethanone
CID 134227112
3-methoxy-2-(3-methoxyphenyl)benzoic acid
CID 19594928
2-iodo-3-methoxybenzoyl chloride
CID 14104555
2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid
CID 104832964
3-[(3-methoxyphenyl)methyl]benzoic acid
CID 86242874
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
5-(3-carboxybenzoyl)-2-methoxybenzoic acid
CID 71390290
(3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 46546142
2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid
CID 20990666
3-hydroxy-4-[(3-methoxybenzoyl)amino]benzoic acid
CID 60827348
4-[(3-methoxyphenyl)diazenyl]benzene-1,3-dicarboxylic acid
CID 139851917
2-(2-methylprop-2-enoyloxy)benzoic acid;3-(2-methylprop-2-enoyloxy)benzoic acid
CID 118071852

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methoxybenzoic acid;3-methoxybenzoic acid?
The IUPAC name of 2-iodo-3-methoxybenzoic acid;3-methoxybenzoic acid (CID 21217723) is 2-iodo-3-methoxybenzoic acid;3-methoxybenzoic acid.
What is the SMILES notation for 2-iodo-3-methoxybenzoic acid;3-methoxybenzoic acid?
The canonical SMILES for 2-iodo-3-methoxybenzoic acid;3-methoxybenzoic acid is COc1cccc(C(=O)O)c1.COc1cccc(C(=O)O)c1I.
What is the InChIKey of 2-iodo-3-methoxybenzoic acid;3-methoxybenzoic acid?
The InChIKey is WNMPKPPHINFZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IO3.C8H8O3/c1-12-6-4-2-3-5(7(6)9)8(10)11;1-11-7-4-2-3-6(5-7)8(9)10/h2-4H,1H3,(H,10,11);2-5H,1H3,(H,9,10).
What are the key properties of 2-iodo-3-methoxybenzoic acid;3-methoxybenzoic acid?
2-iodo-3-methoxybenzoic acid;3-methoxybenzoic acid has a molecular weight of 430.19 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methoxybenzoic acid;3-methoxybenzoic acid is sourced from PubChem (CID 21217723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).