2-(iodomethyl)-2-(2-phenylmethoxyethyl)-1,3-dioxolane

C13H17IO3 — CID 142703154

IUPAC2-(iodomethyl)-2-(2-phenylmethoxyethyl)-1,3-dioxolane
SMILESICC1(CCOCc2ccccc2)OCCO1
InChIInChI=1S/C13H17IO3/c14-11-13(16-8-9-17-13)6-7-15-10-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyFSRAPPLBCVLLNF-UHFFFAOYSA-N
MW348.18 g/mol
LogP2.77
Rot. Bonds6

About 2-(iodomethyl)-2-(2-phenylmethoxyethyl)-1,3-dioxolane

2-(iodomethyl)-2-(2-phenylmethoxyethyl)-1,3-dioxolane (PubChem CID 142703154) has the molecular formula C13H17IO3 and a molecular weight of 348.18 g/mol. Its IUPAC name is 2-(iodomethyl)-2-(2-phenylmethoxyethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(iodomethyl)-2-(2-phenylmethoxyethyl)-1,3-dioxolane
PubChem CID142703154
Molecular FormulaC13H17IO3
Molecular Weight348.18 g/mol
Exact Mass348.02
IUPAC Name2-(iodomethyl)-2-(2-phenylmethoxyethyl)-1,3-dioxolane
SMILESICC1(CCOCc2ccccc2)OCCO1
InChIInChI=1S/C13H17IO3/c14-11-13(16-8-9-17-13)6-7-15-10-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyFSRAPPLBCVLLNF-UHFFFAOYSA-N
XLogP2.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(iodomethyl)-2-(2-phenylmethoxyethyl)-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

3-[2-(2-phenylmethoxyethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 14395384
2-phenyl-2-(2-phenylmethoxyethyl)-1,3-dioxolane
CID 101039125
2-[1-(iodomethyl)cyclohexyl]ethoxymethylbenzene
CID 142666822
2,2-bis(phenylmethoxymethyl)-1,3-dioxane
CID 59792450
2-methyl-2-(2-phenylmethoxyethyl)oxolane
CID 151587954
2-iodoethoxymethylbenzene
CID 10355314
8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 130536954
2-methyl-3-(2-phenylmethoxyethyl)oxolan-3-amine
CID 130537408
(2R)-2-butyl-2-(3-phenylmethoxypropyl)oxirane
CID 102021945
2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane
CID 85248081
CID 66734377
CID 66734377
2-[1-(2-phenylmethoxyethyl)cyclohexyl]ethanol
CID 59714985

Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-2-(2-phenylmethoxyethyl)-1,3-dioxolane?
The IUPAC name of 2-(iodomethyl)-2-(2-phenylmethoxyethyl)-1,3-dioxolane (CID 142703154) is 2-(iodomethyl)-2-(2-phenylmethoxyethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(iodomethyl)-2-(2-phenylmethoxyethyl)-1,3-dioxolane?
The canonical SMILES for 2-(iodomethyl)-2-(2-phenylmethoxyethyl)-1,3-dioxolane is ICC1(CCOCc2ccccc2)OCCO1.
What is the InChIKey of 2-(iodomethyl)-2-(2-phenylmethoxyethyl)-1,3-dioxolane?
The InChIKey is FSRAPPLBCVLLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IO3/c14-11-13(16-8-9-17-13)6-7-15-10-12-4-2-1-3-5-12/h1-5H,6-11H2.
What are the key properties of 2-(iodomethyl)-2-(2-phenylmethoxyethyl)-1,3-dioxolane?
2-(iodomethyl)-2-(2-phenylmethoxyethyl)-1,3-dioxolane has a molecular weight of 348.18 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-2-(2-phenylmethoxyethyl)-1,3-dioxolane is sourced from PubChem (CID 142703154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).