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

C11H15IO3 — CID 51051061

IUPAC(2R,3S)-3-(2-hydroxyethoxy)-2-iodo-3-phenylpropan-1-ol
SMILESOCCO[C@@H](c1ccccc1)[C@H](I)CO
InChIInChI=1S/C11H15IO3/c12-10(8-14)11(15-7-6-13)9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2/t10-,11+/m1/s1
InChIKeyPNCRHLGPEBOZSF-MNOVXSKESA-N
MW322.14 g/mol
LogP1.53
Rot. Bonds6

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

(2R,3S)-3-(2-hydroxyethoxy)-2-iodo-3-phenylpropan-1-ol (PubChem CID 51051061) has the molecular formula C11H15IO3 and a molecular weight of 322.14 g/mol. Its IUPAC name is (2R,3S)-3-(2-hydroxyethoxy)-2-iodo-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R,3S)-3-(2-hydroxyethoxy)-2-iodo-3-phenylpropan-1-ol
PubChem CID51051061
Molecular FormulaC11H15IO3
Molecular Weight322.14 g/mol
Exact Mass322.01
IUPAC Name(2R,3S)-3-(2-hydroxyethoxy)-2-iodo-3-phenylpropan-1-ol
SMILESOCCO[C@@H](c1ccccc1)[C@H](I)CO
InChIInChI=1S/C11H15IO3/c12-10(8-14)11(15-7-6-13)9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2/t10-,11+/m1/s1
InChIKeyPNCRHLGPEBOZSF-MNOVXSKESA-N
XLogP1.53
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-2-iodo-3-methoxy-3-phenylpropan-1-ol
CID 102517713
2-[(1S)-2-iodo-1-phenylethoxy]ethanol
CID 125483394
2-[2-(2-methyl-1-phenylpropoxy)ethoxy]ethanol
CID 70556867
[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene
CID 10983775
[1,2-bis(2-bromoethoxy)-2-phenylethyl]benzene
CID 10717396
(1-methoxy-2-phenyl-2-propoxyethyl)benzene
CID 175600461
2-[(4-methoxyphenyl)-phenylmethoxy]ethanol
CID 54566814
(1R,2S)-2-but-3-enoxy-1,2-diphenylethanol
CID 102243904
2-[2-[bis[2-[bis[2-(2-hydroxyethoxy)-2-phenylethyl]amino]ethyl]amino]-1-phenylethoxy]ethanol
CID 59475402
(2R)-2-ethoxy-2-phenylethanol
CID 10654619
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015
2-[2-[(1R,2S)-2-(benzylamino)-1-phenylpropoxy]ethoxy]ethanol
CID 102206695

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(2-hydroxyethoxy)-2-iodo-3-phenylpropan-1-ol?
The IUPAC name of (2R,3S)-3-(2-hydroxyethoxy)-2-iodo-3-phenylpropan-1-ol (CID 51051061) is (2R,3S)-3-(2-hydroxyethoxy)-2-iodo-3-phenylpropan-1-ol.
What is the SMILES notation for (2R,3S)-3-(2-hydroxyethoxy)-2-iodo-3-phenylpropan-1-ol?
The canonical SMILES for (2R,3S)-3-(2-hydroxyethoxy)-2-iodo-3-phenylpropan-1-ol is OCCO[C@@H](c1ccccc1)[C@H](I)CO.
What is the InChIKey of (2R,3S)-3-(2-hydroxyethoxy)-2-iodo-3-phenylpropan-1-ol?
The InChIKey is PNCRHLGPEBOZSF-MNOVXSKESA-N. The full InChI is InChI=1S/C11H15IO3/c12-10(8-14)11(15-7-6-13)9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2/t10-,11+/m1/s1.
What are the key properties of (2R,3S)-3-(2-hydroxyethoxy)-2-iodo-3-phenylpropan-1-ol?
(2R,3S)-3-(2-hydroxyethoxy)-2-iodo-3-phenylpropan-1-ol has a molecular weight of 322.14 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(2-hydroxyethoxy)-2-iodo-3-phenylpropan-1-ol is sourced from PubChem (CID 51051061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).