(4R)-6-iodo-3,4-dihydro-2H-chromen-4-ol

C9H9IO2 — CID 58909283

IUPAC(4R)-6-iodo-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CCOc2ccc(I)cc21
InChIInChI=1S/C9H9IO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,11H,3-4H2/t8-/m1/s1
InChIKeyANWPEHPJCBJNNI-MRVPVSSYSA-N
MW276.07 g/mol
LogP2.11
Rot. Bonds

About (4R)-6-iodo-3,4-dihydro-2H-chromen-4-ol

(4R)-6-iodo-3,4-dihydro-2H-chromen-4-ol (PubChem CID 58909283) has the molecular formula C9H9IO2 and a molecular weight of 276.07 g/mol. Its IUPAC name is (4R)-6-iodo-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-6-iodo-3,4-dihydro-2H-chromen-4-ol
PubChem CID58909283
Molecular FormulaC9H9IO2
Molecular Weight276.07 g/mol
Exact Mass275.96
IUPAC Name(4R)-6-iodo-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CCOc2ccc(I)cc21
InChIInChI=1S/C9H9IO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,11H,3-4H2/t8-/m1/s1
InChIKeyANWPEHPJCBJNNI-MRVPVSSYSA-N
XLogP2.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.07
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-7-iodo-3,4-dihydro-2H-chromen-4-ol
CID 130741729
6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 15148408
6-iodo-4-methyl-3,4-dihydro-2H-chromene
CID 10612333
6-(2-hydroxyethyl)-3,4-dihydro-2H-chromen-4-ol
CID 67687802
(4S)-6-(2-methylbutan-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 79014479
(5S)-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 79014200
7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 64981565
(4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol
CID 79014406
(4R)-7-chloro-3,4-dihydro-2H-chromen-4-ol
CID 79002138
tert-butyl N-(6-iodo-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 70330503
6-fluoro-2H-chromene;6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 159963364
(4R)-6-chloro-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 82717481

Frequently Asked Questions

What is the IUPAC name of (4R)-6-iodo-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-6-iodo-3,4-dihydro-2H-chromen-4-ol (CID 58909283) is (4R)-6-iodo-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-6-iodo-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-6-iodo-3,4-dihydro-2H-chromen-4-ol is O[C@@H]1CCOc2ccc(I)cc21.
What is the InChIKey of (4R)-6-iodo-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is ANWPEHPJCBJNNI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9IO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,11H,3-4H2/t8-/m1/s1.
What are the key properties of (4R)-6-iodo-3,4-dihydro-2H-chromen-4-ol?
(4R)-6-iodo-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 276.07 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-iodo-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 58909283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).