(2R)-2-hydroxy-7-iodo-2,3-dihydro-1H-indene-4-carbaldehyde

C10H9IO2 — CID 125476975

IUPAC(2R)-2-hydroxy-7-iodo-2,3-dihydro-1H-indene-4-carbaldehyde
SMILESO=Cc1ccc(I)c2c1C[C@@H](O)C2
InChIInChI=1S/C10H9IO2/c11-10-2-1-6(5-12)8-3-7(13)4-9(8)10/h1-2,5,7,13H,3-4H2/t7-/m1/s1
InChIKeyUEGGVYZBDKFKOM-SSDOTTSWSA-N
MW288.08 g/mol
LogP1.56
Rot. Bonds1

About (2R)-2-hydroxy-7-iodo-2,3-dihydro-1H-indene-4-carbaldehyde

(2R)-2-hydroxy-7-iodo-2,3-dihydro-1H-indene-4-carbaldehyde (PubChem CID 125476975) has the molecular formula C10H9IO2 and a molecular weight of 288.08 g/mol. Its IUPAC name is (2R)-2-hydroxy-7-iodo-2,3-dihydro-1H-indene-4-carbaldehyde.

Molecular Properties

Compound Name(2R)-2-hydroxy-7-iodo-2,3-dihydro-1H-indene-4-carbaldehyde
PubChem CID125476975
Molecular FormulaC10H9IO2
Molecular Weight288.08 g/mol
Exact Mass287.96
IUPAC Name(2R)-2-hydroxy-7-iodo-2,3-dihydro-1H-indene-4-carbaldehyde
SMILESO=Cc1ccc(I)c2c1C[C@@H](O)C2
InChIInChI=1S/C10H9IO2/c11-10-2-1-6(5-12)8-3-7(13)4-9(8)10/h1-2,5,7,13H,3-4H2/t7-/m1/s1
InChIKeyUEGGVYZBDKFKOM-SSDOTTSWSA-N
XLogP1.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.08
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2R)-2-hydroxy-7-iodo-2,3-dihydro-1H-indene-4-carbaldehyde?
The IUPAC name of (2R)-2-hydroxy-7-iodo-2,3-dihydro-1H-indene-4-carbaldehyde (CID 125476975) is (2R)-2-hydroxy-7-iodo-2,3-dihydro-1H-indene-4-carbaldehyde.
What is the SMILES notation for (2R)-2-hydroxy-7-iodo-2,3-dihydro-1H-indene-4-carbaldehyde?
The canonical SMILES for (2R)-2-hydroxy-7-iodo-2,3-dihydro-1H-indene-4-carbaldehyde is O=Cc1ccc(I)c2c1C[C@@H](O)C2.
What is the InChIKey of (2R)-2-hydroxy-7-iodo-2,3-dihydro-1H-indene-4-carbaldehyde?
The InChIKey is UEGGVYZBDKFKOM-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H9IO2/c11-10-2-1-6(5-12)8-3-7(13)4-9(8)10/h1-2,5,7,13H,3-4H2/t7-/m1/s1.
What are the key properties of (2R)-2-hydroxy-7-iodo-2,3-dihydro-1H-indene-4-carbaldehyde?
(2R)-2-hydroxy-7-iodo-2,3-dihydro-1H-indene-4-carbaldehyde has a molecular weight of 288.08 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-7-iodo-2,3-dihydro-1H-indene-4-carbaldehyde is sourced from PubChem (CID 125476975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).