[(2S)-2-iodocyclopropyl]methanol

C4H7IO — CID 122684903

IUPAC[(2S)-2-iodocyclopropyl]methanol
SMILESOCC1C[C@@H]1I
InChIInChI=1S/C4H7IO/c5-4-1-3(4)2-6/h3-4,6H,1-2H2/t3?,4-/m0/s1
InChIKeyRZMSXZPEMYZGAS-BKLSDQPFSA-N
MW198.00 g/mol
LogP0.80
Rot. Bonds1

About [(2S)-2-iodocyclopropyl]methanol

[(2S)-2-iodocyclopropyl]methanol (PubChem CID 122684903) has the molecular formula C4H7IO and a molecular weight of 198.00 g/mol. Its IUPAC name is [(2S)-2-iodocyclopropyl]methanol.

Molecular Properties

Compound Name[(2S)-2-iodocyclopropyl]methanol
PubChem CID122684903
Molecular FormulaC4H7IO
Molecular Weight198.00 g/mol
Exact Mass197.95
IUPAC Name[(2S)-2-iodocyclopropyl]methanol
SMILESOCC1C[C@@H]1I
InChIInChI=1S/C4H7IO/c5-4-1-3(4)2-6/h3-4,6H,1-2H2/t3?,4-/m0/s1
InChIKeyRZMSXZPEMYZGAS-BKLSDQPFSA-N
XLogP0.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.00
LogP ≤ 50.80
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

[(2S)-2-(hydroxymethyl)cyclopropyl]methanol
CID 67842260
[(1S,2S)-2-methylcyclopropyl]methanol
CID 7869082
[(1S,2S)-2-bromocyclopropyl]methanol
CID 124629911
[(1S,2R)-2-[(1S,2S)-2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]cyclopropyl]cyclopropyl]methanol
CID 10631296
[(1S,2R,3R,4S)-2,3,4-tris(hydroxymethyl)cyclopentyl]methanol
CID 131848681
5-(hydroxymethyl)cyclohexane-1,2,4-triol
CID 148585059
[(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol
CID 130977937
[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]azanium
CID 40566342
2-(hydroxymethyl)cyclohexane-1,4-diol
CID 130149312
[(1S,3S,4R,6R)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol
CID 130841928
3-tricyclo[3.1.0.02,6]hexanylmethanol
CID 85316389
(1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol
CID 10920662

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-iodocyclopropyl]methanol?
The IUPAC name of [(2S)-2-iodocyclopropyl]methanol (CID 122684903) is [(2S)-2-iodocyclopropyl]methanol.
What is the SMILES notation for [(2S)-2-iodocyclopropyl]methanol?
The canonical SMILES for [(2S)-2-iodocyclopropyl]methanol is OCC1C[C@@H]1I.
What is the InChIKey of [(2S)-2-iodocyclopropyl]methanol?
The InChIKey is RZMSXZPEMYZGAS-BKLSDQPFSA-N. The full InChI is InChI=1S/C4H7IO/c5-4-1-3(4)2-6/h3-4,6H,1-2H2/t3?,4-/m0/s1.
What are the key properties of [(2S)-2-iodocyclopropyl]methanol?
[(2S)-2-iodocyclopropyl]methanol has a molecular weight of 198.00 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-iodocyclopropyl]methanol is sourced from PubChem (CID 122684903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).