2-(2-hydroxy-3,4-dimethoxyphenyl)-3-iodobenzaldehyde

C15H13IO4 — CID 87800826

IUPAC2-(2-hydroxy-3,4-dimethoxyphenyl)-3-iodobenzaldehyde
SMILESCOc1ccc(-c2c(I)cccc2C=O)c(O)c1OC
InChIInChI=1S/C15H13IO4/c1-19-12-7-6-10(14(18)15(12)20-2)13-9(8-17)4-3-5-11(13)16/h3-8,18H,1-2H3
InChIKeyUGQBDPPOIDDLKT-UHFFFAOYSA-N
MW384.17 g/mol
LogP3.49
Rot. Bonds4

About 2-(2-hydroxy-3,4-dimethoxyphenyl)-3-iodobenzaldehyde

2-(2-hydroxy-3,4-dimethoxyphenyl)-3-iodobenzaldehyde (PubChem CID 87800826) has the molecular formula C15H13IO4 and a molecular weight of 384.17 g/mol. Its IUPAC name is 2-(2-hydroxy-3,4-dimethoxyphenyl)-3-iodobenzaldehyde.

Molecular Properties

Compound Name2-(2-hydroxy-3,4-dimethoxyphenyl)-3-iodobenzaldehyde
PubChem CID87800826
Molecular FormulaC15H13IO4
Molecular Weight384.17 g/mol
Exact Mass383.99
IUPAC Name2-(2-hydroxy-3,4-dimethoxyphenyl)-3-iodobenzaldehyde
SMILESCOc1ccc(-c2c(I)cccc2C=O)c(O)c1OC
InChIInChI=1S/C15H13IO4/c1-19-12-7-6-10(14(18)15(12)20-2)13-9(8-17)4-3-5-11(13)16/h3-8,18H,1-2H3
InChIKeyUGQBDPPOIDDLKT-UHFFFAOYSA-N
XLogP3.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.17
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxy-3,4-dimethoxyphenyl)-3-iodobenzaldehyde 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-hydroxy-3-methoxybenzaldehyde
CID 8991
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627
6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde
CID 10742444
2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde
CID 161122515
3-hydroxy-2,5-diiodo-4-methoxybenzaldehyde
CID 174349151
2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde
CID 175847419
2-(2-formyl-6-methoxyphenoxy)acetate
CID 6933847
3-hydroxy-5-methoxynaphthalene-1-carbaldehyde
CID 142644452
6-bromo-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxybenzaldehyde
CID 160668969

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3,4-dimethoxyphenyl)-3-iodobenzaldehyde?
The IUPAC name of 2-(2-hydroxy-3,4-dimethoxyphenyl)-3-iodobenzaldehyde (CID 87800826) is 2-(2-hydroxy-3,4-dimethoxyphenyl)-3-iodobenzaldehyde.
What is the SMILES notation for 2-(2-hydroxy-3,4-dimethoxyphenyl)-3-iodobenzaldehyde?
The canonical SMILES for 2-(2-hydroxy-3,4-dimethoxyphenyl)-3-iodobenzaldehyde is COc1ccc(-c2c(I)cccc2C=O)c(O)c1OC.
What is the InChIKey of 2-(2-hydroxy-3,4-dimethoxyphenyl)-3-iodobenzaldehyde?
The InChIKey is UGQBDPPOIDDLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IO4/c1-19-12-7-6-10(14(18)15(12)20-2)13-9(8-17)4-3-5-11(13)16/h3-8,18H,1-2H3.
What are the key properties of 2-(2-hydroxy-3,4-dimethoxyphenyl)-3-iodobenzaldehyde?
2-(2-hydroxy-3,4-dimethoxyphenyl)-3-iodobenzaldehyde has a molecular weight of 384.17 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3,4-dimethoxyphenyl)-3-iodobenzaldehyde is sourced from PubChem (CID 87800826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).