[(2R)-8-iodo-3,4-dihydro-2H-chromen-2-yl]methanol

C10H11IO2 — CID 71056694

IUPAC[(2R)-8-iodo-3,4-dihydro-2H-chromen-2-yl]methanol
SMILESOC[C@H]1CCc2cccc(I)c2O1
InChIInChI=1S/C10H11IO2/c11-9-3-1-2-7-4-5-8(6-12)13-10(7)9/h1-3,8,12H,4-6H2/t8-/m1/s1
InChIKeyJWMBRZNRHJKKQX-MRVPVSSYSA-N
MW290.10 g/mol
LogP1.98
Rot. Bonds1

About [(2R)-8-iodo-3,4-dihydro-2H-chromen-2-yl]methanol

[(2R)-8-iodo-3,4-dihydro-2H-chromen-2-yl]methanol (PubChem CID 71056694) has the molecular formula C10H11IO2 and a molecular weight of 290.10 g/mol. Its IUPAC name is [(2R)-8-iodo-3,4-dihydro-2H-chromen-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-8-iodo-3,4-dihydro-2H-chromen-2-yl]methanol
PubChem CID71056694
Molecular FormulaC10H11IO2
Molecular Weight290.10 g/mol
Exact Mass289.98
IUPAC Name[(2R)-8-iodo-3,4-dihydro-2H-chromen-2-yl]methanol
SMILESOC[C@H]1CCc2cccc(I)c2O1
InChIInChI=1S/C10H11IO2/c11-9-3-1-2-7-4-5-8(6-12)13-10(7)9/h1-3,8,12H,4-6H2/t8-/m1/s1
InChIKeyJWMBRZNRHJKKQX-MRVPVSSYSA-N
XLogP1.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 51.98
H-Bond Donors ≤ 51
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 [(2R)-8-iodo-3,4-dihydro-2H-chromen-2-yl]methanol?
The IUPAC name of [(2R)-8-iodo-3,4-dihydro-2H-chromen-2-yl]methanol (CID 71056694) is [(2R)-8-iodo-3,4-dihydro-2H-chromen-2-yl]methanol.
What is the SMILES notation for [(2R)-8-iodo-3,4-dihydro-2H-chromen-2-yl]methanol?
The canonical SMILES for [(2R)-8-iodo-3,4-dihydro-2H-chromen-2-yl]methanol is OC[C@H]1CCc2cccc(I)c2O1.
What is the InChIKey of [(2R)-8-iodo-3,4-dihydro-2H-chromen-2-yl]methanol?
The InChIKey is JWMBRZNRHJKKQX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11IO2/c11-9-3-1-2-7-4-5-8(6-12)13-10(7)9/h1-3,8,12H,4-6H2/t8-/m1/s1.
What are the key properties of [(2R)-8-iodo-3,4-dihydro-2H-chromen-2-yl]methanol?
[(2R)-8-iodo-3,4-dihydro-2H-chromen-2-yl]methanol has a molecular weight of 290.10 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-8-iodo-3,4-dihydro-2H-chromen-2-yl]methanol is sourced from PubChem (CID 71056694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).