(1R,5S)-1-(hydroxymethyl)-4-iodobicyclo[3.1.0]hexan-2-ol

C7H11IO2 — CID 130233839

IUPAC(1R,5S)-1-(hydroxymethyl)-4-iodobicyclo[3.1.0]hexan-2-ol
SMILESOC[C@@]12C[C@@H]1C(I)CC2O
InChIInChI=1S/C7H11IO2/c8-5-1-6(10)7(3-9)2-4(5)7/h4-6,9-10H,1-3H2/t4-,5?,6?,7+/m1/s1
InChIKeyLFAPKVCFELWJIG-BLOUUBGSSA-N
MW254.07 g/mol
LogP0.55
Rot. Bonds1

About (1R,5S)-1-(hydroxymethyl)-4-iodobicyclo[3.1.0]hexan-2-ol

(1R,5S)-1-(hydroxymethyl)-4-iodobicyclo[3.1.0]hexan-2-ol (PubChem CID 130233839) has the molecular formula C7H11IO2 and a molecular weight of 254.07 g/mol. Its IUPAC name is (1R,5S)-1-(hydroxymethyl)-4-iodobicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name(1R,5S)-1-(hydroxymethyl)-4-iodobicyclo[3.1.0]hexan-2-ol
PubChem CID130233839
Molecular FormulaC7H11IO2
Molecular Weight254.07 g/mol
Exact Mass253.98
IUPAC Name(1R,5S)-1-(hydroxymethyl)-4-iodobicyclo[3.1.0]hexan-2-ol
SMILESOC[C@@]12C[C@@H]1C(I)CC2O
InChIInChI=1S/C7H11IO2/c8-5-1-6(10)7(3-9)2-4(5)7/h4-6,9-10H,1-3H2/t4-,5?,6?,7+/m1/s1
InChIKeyLFAPKVCFELWJIG-BLOUUBGSSA-N
XLogP0.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1-(hydroxymethyl)-4-iodobicyclo[3.1.0]hexan-2-ol?
The IUPAC name of (1R,5S)-1-(hydroxymethyl)-4-iodobicyclo[3.1.0]hexan-2-ol (CID 130233839) is (1R,5S)-1-(hydroxymethyl)-4-iodobicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for (1R,5S)-1-(hydroxymethyl)-4-iodobicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for (1R,5S)-1-(hydroxymethyl)-4-iodobicyclo[3.1.0]hexan-2-ol is OC[C@@]12C[C@@H]1C(I)CC2O.
What is the InChIKey of (1R,5S)-1-(hydroxymethyl)-4-iodobicyclo[3.1.0]hexan-2-ol?
The InChIKey is LFAPKVCFELWJIG-BLOUUBGSSA-N. The full InChI is InChI=1S/C7H11IO2/c8-5-1-6(10)7(3-9)2-4(5)7/h4-6,9-10H,1-3H2/t4-,5?,6?,7+/m1/s1.
What are the key properties of (1R,5S)-1-(hydroxymethyl)-4-iodobicyclo[3.1.0]hexan-2-ol?
(1R,5S)-1-(hydroxymethyl)-4-iodobicyclo[3.1.0]hexan-2-ol has a molecular weight of 254.07 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1-(hydroxymethyl)-4-iodobicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 130233839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).