(2R,4R,6R)-2-(iodomethyl)-4-(methoxymethoxy)-6-(2-phenylmethoxyethyl)oxane

C17H25IO4 — CID 50915847

IUPAC(2R,4R,6R)-2-(iodomethyl)-4-(methoxymethoxy)-6-(2-phenylmethoxyethyl)oxane
SMILESCOCO[C@@H]1C[C@@H](CCOCc2ccccc2)O[C@@H](CI)C1
InChIInChI=1S/C17H25IO4/c1-19-13-21-16-9-15(22-17(10-16)11-18)7-8-20-12-14-5-3-2-4-6-14/h2-6,15-17H,7-13H2,1H3/t15-,16-,17-/m1/s1
InChIKeyNTWWUUNYSGGAOO-BRWVUGGUSA-N
MW420.29 g/mol
LogP3.57
Rot. Bonds9

About (2R,4R,6R)-2-(iodomethyl)-4-(methoxymethoxy)-6-(2-phenylmethoxyethyl)oxane

(2R,4R,6R)-2-(iodomethyl)-4-(methoxymethoxy)-6-(2-phenylmethoxyethyl)oxane (PubChem CID 50915847) has the molecular formula C17H25IO4 and a molecular weight of 420.29 g/mol. Its IUPAC name is (2R,4R,6R)-2-(iodomethyl)-4-(methoxymethoxy)-6-(2-phenylmethoxyethyl)oxane.

Molecular Properties

Compound Name(2R,4R,6R)-2-(iodomethyl)-4-(methoxymethoxy)-6-(2-phenylmethoxyethyl)oxane
PubChem CID50915847
Molecular FormulaC17H25IO4
Molecular Weight420.29 g/mol
Exact Mass420.08
IUPAC Name(2R,4R,6R)-2-(iodomethyl)-4-(methoxymethoxy)-6-(2-phenylmethoxyethyl)oxane
SMILESCOCO[C@@H]1C[C@@H](CCOCc2ccccc2)O[C@@H](CI)C1
InChIInChI=1S/C17H25IO4/c1-19-13-21-16-9-15(22-17(10-16)11-18)7-8-20-12-14-5-3-2-4-6-14/h2-6,15-17H,7-13H2,1H3/t15-,16-,17-/m1/s1
InChIKeyNTWWUUNYSGGAOO-BRWVUGGUSA-N
XLogP3.57
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (2R,4R,6R)-2-(iodomethyl)-4-(methoxymethoxy)-6-(2-phenylmethoxyethyl)oxane 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

(2R,4R,6R)-4-(methoxymethoxy)-2-[3-methoxy-4-(methoxymethoxy)phenyl]-6-(2-phenylmethoxyethyl)oxane
CID 135024177
(4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71106611
2-O-benzyl 1-O-methyl (1S,2R,4R)-4-(methoxymethoxy)cyclopentane-1,2-dicarboxylate
CID 135013218
(2S,3R,4S,6R)-2-(2-phenylethynyl)-3,4-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)oxane
CID 10984295
dimethyl-phenyl-[[(2S,5S)-5-(2-phenylmethoxyethyl)oxolan-2-yl]methyl]silane
CID 100983522
(6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol
CID 146358765
2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene
CID 158778090
(3S,5S)-3-(methoxymethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 10858400
(2R)-2-(2-phenylmethoxyethyl)oxolane
CID 71119139
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,4S,6R)-2-(4-hydroxy-3-methoxyphenyl)-6-(2-phenylmethoxyethyl)oxan-4-ol
CID 135024175
(2R,3R,4R,6R)-2-(2-methoxyethoxy)-6-(phenylmethoxymethyl)oxane-3,4-diol
CID 101172024

Frequently Asked Questions

What is the IUPAC name of (2R,4R,6R)-2-(iodomethyl)-4-(methoxymethoxy)-6-(2-phenylmethoxyethyl)oxane?
The IUPAC name of (2R,4R,6R)-2-(iodomethyl)-4-(methoxymethoxy)-6-(2-phenylmethoxyethyl)oxane (CID 50915847) is (2R,4R,6R)-2-(iodomethyl)-4-(methoxymethoxy)-6-(2-phenylmethoxyethyl)oxane.
What is the SMILES notation for (2R,4R,6R)-2-(iodomethyl)-4-(methoxymethoxy)-6-(2-phenylmethoxyethyl)oxane?
The canonical SMILES for (2R,4R,6R)-2-(iodomethyl)-4-(methoxymethoxy)-6-(2-phenylmethoxyethyl)oxane is COCO[C@@H]1C[C@@H](CCOCc2ccccc2)O[C@@H](CI)C1.
What is the InChIKey of (2R,4R,6R)-2-(iodomethyl)-4-(methoxymethoxy)-6-(2-phenylmethoxyethyl)oxane?
The InChIKey is NTWWUUNYSGGAOO-BRWVUGGUSA-N. The full InChI is InChI=1S/C17H25IO4/c1-19-13-21-16-9-15(22-17(10-16)11-18)7-8-20-12-14-5-3-2-4-6-14/h2-6,15-17H,7-13H2,1H3/t15-,16-,17-/m1/s1.
What are the key properties of (2R,4R,6R)-2-(iodomethyl)-4-(methoxymethoxy)-6-(2-phenylmethoxyethyl)oxane?
(2R,4R,6R)-2-(iodomethyl)-4-(methoxymethoxy)-6-(2-phenylmethoxyethyl)oxane has a molecular weight of 420.29 g/mol, XLogP of 3.57, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6R)-2-(iodomethyl)-4-(methoxymethoxy)-6-(2-phenylmethoxyethyl)oxane is sourced from PubChem (CID 50915847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).