(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol

C9H9IO — CID 11821326

IUPAC(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1c2ccccc2C[C@@H]1I
InChIInChI=1S/C9H9IO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9,11H,5H2/t8-,9-/m0/s1
InChIKeyMMLBUWIACJPYPC-IUCAKERBSA-N
MW260.07 g/mol
LogP2.08
Rot. Bonds

About (1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol

(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol (PubChem CID 11821326) has the molecular formula C9H9IO and a molecular weight of 260.07 g/mol. Its IUPAC name is (1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol
PubChem CID11821326
Molecular FormulaC9H9IO
Molecular Weight260.07 g/mol
Exact Mass259.97
IUPAC Name(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1c2ccccc2C[C@@H]1I
InChIInChI=1S/C9H9IO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9,11H,5H2/t8-,9-/m0/s1
InChIKeyMMLBUWIACJPYPC-IUCAKERBSA-N
XLogP2.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.07
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
1,2-diiodo-2,3-dihydro-1H-indene
CID 18913557
(1S,2S)-2-methanidyl-2,3-dihydro-1H-inden-1-ol;nickel
CID 177486756
(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-ol;hydrochloride
CID 71776086
(1R,2S)-2-phenyl-2,3-dihydro-1H-inden-1-ol
CID 129386741
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 122360167
(1R,2S)-1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile
CID 23239621
1,2,2a,3,8,8a-hexahydrocyclobuta[b]naphthalen-3-ol
CID 130142398
(1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102321992
CID 87918176
CID 87918176
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
(1S,2S)-2-(2-aminophenyl)sulfanyl-2,3-dihydro-1H-inden-1-ol
CID 131842796

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol (CID 11821326) is (1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol is O[C@H]1c2ccccc2C[C@@H]1I.
What is the InChIKey of (1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol?
The InChIKey is MMLBUWIACJPYPC-IUCAKERBSA-N. The full InChI is InChI=1S/C9H9IO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9,11H,5H2/t8-,9-/m0/s1.
What are the key properties of (1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol?
(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol has a molecular weight of 260.07 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 11821326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).