[(1S,2S,3R)-2-(2-chlorophenyl)-3-iodocyclopropyl]methanol

C10H10ClIO — CID 44597249

IUPAC[(1S,2S,3R)-2-(2-chlorophenyl)-3-iodocyclopropyl]methanol
SMILESOC[C@H]1[C@H](I)[C@@H]1c1ccccc1Cl
InChIInChI=1S/C10H10ClIO/c11-8-4-2-1-3-6(8)9-7(5-13)10(9)12/h1-4,7,9-10,13H,5H2/t7-,9-,10+/m1/s1
InChIKeyVRSMEENCEHZCGK-QNSHHTMESA-N
MW308.55 g/mol
LogP2.85
Rot. Bonds2

About [(1S,2S,3R)-2-(2-chlorophenyl)-3-iodocyclopropyl]methanol

[(1S,2S,3R)-2-(2-chlorophenyl)-3-iodocyclopropyl]methanol (PubChem CID 44597249) has the molecular formula C10H10ClIO and a molecular weight of 308.55 g/mol. Its IUPAC name is [(1S,2S,3R)-2-(2-chlorophenyl)-3-iodocyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2S,3R)-2-(2-chlorophenyl)-3-iodocyclopropyl]methanol
PubChem CID44597249
Molecular FormulaC10H10ClIO
Molecular Weight308.55 g/mol
Exact Mass307.95
IUPAC Name[(1S,2S,3R)-2-(2-chlorophenyl)-3-iodocyclopropyl]methanol
SMILESOC[C@H]1[C@H](I)[C@@H]1c1ccccc1Cl
InChIInChI=1S/C10H10ClIO/c11-8-4-2-1-3-6(8)9-7(5-13)10(9)12/h1-4,7,9-10,13H,5H2/t7-,9-,10+/m1/s1
InChIKeyVRSMEENCEHZCGK-QNSHHTMESA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 52.85
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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Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3R)-2-(2-chlorophenyl)-3-iodocyclopropyl]methanol?
The IUPAC name of [(1S,2S,3R)-2-(2-chlorophenyl)-3-iodocyclopropyl]methanol (CID 44597249) is [(1S,2S,3R)-2-(2-chlorophenyl)-3-iodocyclopropyl]methanol.
What is the SMILES notation for [(1S,2S,3R)-2-(2-chlorophenyl)-3-iodocyclopropyl]methanol?
The canonical SMILES for [(1S,2S,3R)-2-(2-chlorophenyl)-3-iodocyclopropyl]methanol is OC[C@H]1[C@H](I)[C@@H]1c1ccccc1Cl.
What is the InChIKey of [(1S,2S,3R)-2-(2-chlorophenyl)-3-iodocyclopropyl]methanol?
The InChIKey is VRSMEENCEHZCGK-QNSHHTMESA-N. The full InChI is InChI=1S/C10H10ClIO/c11-8-4-2-1-3-6(8)9-7(5-13)10(9)12/h1-4,7,9-10,13H,5H2/t7-,9-,10+/m1/s1.
What are the key properties of [(1S,2S,3R)-2-(2-chlorophenyl)-3-iodocyclopropyl]methanol?
[(1S,2S,3R)-2-(2-chlorophenyl)-3-iodocyclopropyl]methanol has a molecular weight of 308.55 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3R)-2-(2-chlorophenyl)-3-iodocyclopropyl]methanol is sourced from PubChem (CID 44597249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).