(2S,4R)-4-iodo-2-(phenylmethoxymethyl)-1,3-dioxolane

C11H13IO3 — CID 11034542

IUPAC(2S,4R)-4-iodo-2-(phenylmethoxymethyl)-1,3-dioxolane
SMILESI[C@@H]1CO[C@H](COCc2ccccc2)O1
InChIInChI=1S/C11H13IO3/c12-10-7-14-11(15-10)8-13-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11-/m0/s1
InChIKeyDXDKNXZHNFHOOK-QWRGUYRKSA-N
MW320.13 g/mol
LogP2.34
Rot. Bonds4

About (2S,4R)-4-iodo-2-(phenylmethoxymethyl)-1,3-dioxolane

(2S,4R)-4-iodo-2-(phenylmethoxymethyl)-1,3-dioxolane (PubChem CID 11034542) has the molecular formula C11H13IO3 and a molecular weight of 320.13 g/mol. Its IUPAC name is (2S,4R)-4-iodo-2-(phenylmethoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(2S,4R)-4-iodo-2-(phenylmethoxymethyl)-1,3-dioxolane
PubChem CID11034542
Molecular FormulaC11H13IO3
Molecular Weight320.13 g/mol
Exact Mass319.99
IUPAC Name(2S,4R)-4-iodo-2-(phenylmethoxymethyl)-1,3-dioxolane
SMILESI[C@@H]1CO[C@H](COCc2ccccc2)O1
InChIInChI=1S/C11H13IO3/c12-10-7-14-11(15-10)8-13-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11-/m0/s1
InChIKeyDXDKNXZHNFHOOK-QWRGUYRKSA-N
XLogP2.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,4R)-4-iodo-2-(phenylmethoxymethyl)-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-2-(phenylmethoxymethyl)-1,3-dioxolane-4-carboxylic acid
CID 177185442
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,4R)-2-(2-bromoethyl)-4-(phenylmethoxymethyl)-1,3-dioxolane
CID 70623575
(2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane
CID 122363520
(1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane
CID 11056009
(2R)-2-(phenylmethoxymethoxymethyl)oxirane
CID 129387534
oxolane;(2R)-2-(phenylmethoxymethyl)oxirane
CID 175076963
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
5-(phenylmethoxymethyl)-1,4-oxathian-2-ol
CID 19350843
5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 166975544
[4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol
CID 23452412
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-iodo-2-(phenylmethoxymethyl)-1,3-dioxolane?
The IUPAC name of (2S,4R)-4-iodo-2-(phenylmethoxymethyl)-1,3-dioxolane (CID 11034542) is (2S,4R)-4-iodo-2-(phenylmethoxymethyl)-1,3-dioxolane.
What is the SMILES notation for (2S,4R)-4-iodo-2-(phenylmethoxymethyl)-1,3-dioxolane?
The canonical SMILES for (2S,4R)-4-iodo-2-(phenylmethoxymethyl)-1,3-dioxolane is I[C@@H]1CO[C@H](COCc2ccccc2)O1.
What is the InChIKey of (2S,4R)-4-iodo-2-(phenylmethoxymethyl)-1,3-dioxolane?
The InChIKey is DXDKNXZHNFHOOK-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H13IO3/c12-10-7-14-11(15-10)8-13-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11-/m0/s1.
What are the key properties of (2S,4R)-4-iodo-2-(phenylmethoxymethyl)-1,3-dioxolane?
(2S,4R)-4-iodo-2-(phenylmethoxymethyl)-1,3-dioxolane has a molecular weight of 320.13 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-iodo-2-(phenylmethoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 11034542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).