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'}

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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).