(2R,3S)-2-iodo-3-methoxy-3-phenylpropan-1-ol

C10H13IO2 — CID 102517713

IUPAC(2R,3S)-2-iodo-3-methoxy-3-phenylpropan-1-ol
SMILESCO[C@@H](c1ccccc1)[C@H](I)CO
InChIInChI=1S/C10H13IO2/c1-13-10(9(11)7-12)8-5-3-2-4-6-8/h2-6,9-10,12H,7H2,1H3/t9-,10+/m1/s1
InChIKeyQSCJDASNPZYXJR-ZJUUUORDSA-N
MW292.12 g/mol
LogP2.17
Rot. Bonds4

About (2R,3S)-2-iodo-3-methoxy-3-phenylpropan-1-ol

(2R,3S)-2-iodo-3-methoxy-3-phenylpropan-1-ol (PubChem CID 102517713) has the molecular formula C10H13IO2 and a molecular weight of 292.12 g/mol. Its IUPAC name is (2R,3S)-2-iodo-3-methoxy-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R,3S)-2-iodo-3-methoxy-3-phenylpropan-1-ol
PubChem CID102517713
Molecular FormulaC10H13IO2
Molecular Weight292.12 g/mol
Exact Mass292.00
IUPAC Name(2R,3S)-2-iodo-3-methoxy-3-phenylpropan-1-ol
SMILESCO[C@@H](c1ccccc1)[C@H](I)CO
InChIInChI=1S/C10H13IO2/c1-13-10(9(11)7-12)8-5-3-2-4-6-8/h2-6,9-10,12H,7H2,1H3/t9-,10+/m1/s1
InChIKeyQSCJDASNPZYXJR-ZJUUUORDSA-N
XLogP2.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.17
H-Bond Donors ≤ 51
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 (2R,3S)-2-iodo-3-methoxy-3-phenylpropan-1-ol?
The IUPAC name of (2R,3S)-2-iodo-3-methoxy-3-phenylpropan-1-ol (CID 102517713) is (2R,3S)-2-iodo-3-methoxy-3-phenylpropan-1-ol.
What is the SMILES notation for (2R,3S)-2-iodo-3-methoxy-3-phenylpropan-1-ol?
The canonical SMILES for (2R,3S)-2-iodo-3-methoxy-3-phenylpropan-1-ol is CO[C@@H](c1ccccc1)[C@H](I)CO.
What is the InChIKey of (2R,3S)-2-iodo-3-methoxy-3-phenylpropan-1-ol?
The InChIKey is QSCJDASNPZYXJR-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H13IO2/c1-13-10(9(11)7-12)8-5-3-2-4-6-8/h2-6,9-10,12H,7H2,1H3/t9-,10+/m1/s1.
What are the key properties of (2R,3S)-2-iodo-3-methoxy-3-phenylpropan-1-ol?
(2R,3S)-2-iodo-3-methoxy-3-phenylpropan-1-ol has a molecular weight of 292.12 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-iodo-3-methoxy-3-phenylpropan-1-ol is sourced from PubChem (CID 102517713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).