2-hydroxy-3-iodo-5-methoxybenzoic acid

C8H7IO4 — CID 100583382

IUPAC2-hydroxy-3-iodo-5-methoxybenzoic acid
SMILESCOc1cc(I)c(O)c(C(=O)O)c1
InChIInChI=1S/C8H7IO4/c1-13-4-2-5(8(11)12)7(10)6(9)3-4/h2-3,10H,1H3,(H,11,12)
InChIKeyXNHJVVXUAZHCMH-UHFFFAOYSA-N
MW294.04 g/mol
LogP1.70
Rot. Bonds2

About 2-hydroxy-3-iodo-5-methoxybenzoic acid

2-hydroxy-3-iodo-5-methoxybenzoic acid (PubChem CID 100583382) has the molecular formula C8H7IO4 and a molecular weight of 294.04 g/mol. Its IUPAC name is 2-hydroxy-3-iodo-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-iodo-5-methoxybenzoic acid
PubChem CID100583382
Molecular FormulaC8H7IO4
Molecular Weight294.04 g/mol
Exact Mass293.94
IUPAC Name2-hydroxy-3-iodo-5-methoxybenzoic acid
SMILESCOc1cc(I)c(O)c(C(=O)O)c1
InChIInChI=1S/C8H7IO4/c1-13-4-2-5(8(11)12)7(10)6(9)3-4/h2-3,10H,1H3,(H,11,12)
InChIKeyXNHJVVXUAZHCMH-UHFFFAOYSA-N
XLogP1.70
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.04
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-methoxybenzene-1,3-dicarboxylic acid
CID 66762655
3-iodo-5-methoxy-2-prop-2-enoxybenzoic acid
CID 100583431
methyl 3-iodo-2,5-dimethoxybenzoate
CID 134648385
methyl 2-hydroxy-3,5-diiodobenzoate
CID 3695482
2-iodo-4-methoxy-6-pentanoylbenzoic acid
CID 142614419
5-methoxy-3-methyl-2-sulfanylbenzoic acid
CID 91874590
2-bromo-5-methoxy-3-methylbenzoic acid
CID 15227362
4-hydroxy-3,5-diiodobenzoic acid
CID 12065
5-methoxy-2-methoxycarbonyl-3-methylbenzoic acid
CID 14207577
3-(hydroxymethyl)-5-methoxy-2-methylbenzoic acid
CID 141349379
3-ethyl-2-fluoro-5-methoxybenzoic acid
CID 123425084
1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone
CID 12616793

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-iodo-5-methoxybenzoic acid?
The IUPAC name of 2-hydroxy-3-iodo-5-methoxybenzoic acid (CID 100583382) is 2-hydroxy-3-iodo-5-methoxybenzoic acid.
What is the SMILES notation for 2-hydroxy-3-iodo-5-methoxybenzoic acid?
The canonical SMILES for 2-hydroxy-3-iodo-5-methoxybenzoic acid is COc1cc(I)c(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-3-iodo-5-methoxybenzoic acid?
The InChIKey is XNHJVVXUAZHCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IO4/c1-13-4-2-5(8(11)12)7(10)6(9)3-4/h2-3,10H,1H3,(H,11,12).
What are the key properties of 2-hydroxy-3-iodo-5-methoxybenzoic acid?
2-hydroxy-3-iodo-5-methoxybenzoic acid has a molecular weight of 294.04 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-iodo-5-methoxybenzoic acid is sourced from PubChem (CID 100583382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).