(1R,3S)-2-(4-iodophenyl)-2,3-dihydro-1H-indene-1,3-diol

C15H13IO2 — CID 125481734

IUPAC(1R,3S)-2-(4-iodophenyl)-2,3-dihydro-1H-indene-1,3-diol
SMILESO[C@@H]1c2ccccc2[C@H](O)C1c1ccc(I)cc1
InChIInChI=1S/C15H13IO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13-15,17-18H/t13?,14-,15+
InChIKeyPQKYNBASHORKIO-GOOCMWNKSA-N
MW352.17 g/mol
LogP3.16
Rot. Bonds1

About (1R,3S)-2-(4-iodophenyl)-2,3-dihydro-1H-indene-1,3-diol

(1R,3S)-2-(4-iodophenyl)-2,3-dihydro-1H-indene-1,3-diol (PubChem CID 125481734) has the molecular formula C15H13IO2 and a molecular weight of 352.17 g/mol. Its IUPAC name is (1R,3S)-2-(4-iodophenyl)-2,3-dihydro-1H-indene-1,3-diol.

Molecular Properties

Compound Name(1R,3S)-2-(4-iodophenyl)-2,3-dihydro-1H-indene-1,3-diol
PubChem CID125481734
Molecular FormulaC15H13IO2
Molecular Weight352.17 g/mol
Exact Mass352.00
IUPAC Name(1R,3S)-2-(4-iodophenyl)-2,3-dihydro-1H-indene-1,3-diol
SMILESO[C@@H]1c2ccccc2[C@H](O)C1c1ccc(I)cc1
InChIInChI=1S/C15H13IO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13-15,17-18H/t13?,14-,15+
InChIKeyPQKYNBASHORKIO-GOOCMWNKSA-N
XLogP3.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.17
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-2-(4-iodophenyl)-2,3-dihydro-1H-indene-1,3-diol?
The IUPAC name of (1R,3S)-2-(4-iodophenyl)-2,3-dihydro-1H-indene-1,3-diol (CID 125481734) is (1R,3S)-2-(4-iodophenyl)-2,3-dihydro-1H-indene-1,3-diol.
What is the SMILES notation for (1R,3S)-2-(4-iodophenyl)-2,3-dihydro-1H-indene-1,3-diol?
The canonical SMILES for (1R,3S)-2-(4-iodophenyl)-2,3-dihydro-1H-indene-1,3-diol is O[C@@H]1c2ccccc2[C@H](O)C1c1ccc(I)cc1.
What is the InChIKey of (1R,3S)-2-(4-iodophenyl)-2,3-dihydro-1H-indene-1,3-diol?
The InChIKey is PQKYNBASHORKIO-GOOCMWNKSA-N. The full InChI is InChI=1S/C15H13IO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13-15,17-18H/t13?,14-,15+.
What are the key properties of (1R,3S)-2-(4-iodophenyl)-2,3-dihydro-1H-indene-1,3-diol?
(1R,3S)-2-(4-iodophenyl)-2,3-dihydro-1H-indene-1,3-diol has a molecular weight of 352.17 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-2-(4-iodophenyl)-2,3-dihydro-1H-indene-1,3-diol is sourced from PubChem (CID 125481734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).