(2S,3S,4S,6R)-4-fluoro-3-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)oxane

C22H25FO — CID 154713510

IUPAC(2S,3S,4S,6R)-4-fluoro-3-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)oxane
SMILESC[C@H]1[C@H](/C=C/c2ccccc2)O[C@H](CCc2ccccc2)C[C@@H]1F
InChIInChI=1S/C22H25FO/c1-17-21(23)16-20(14-12-18-8-4-2-5-9-18)24-22(17)15-13-19-10-6-3-7-11-19/h2-11,13,15,17,20-22H,12,14,16H2,1H3/b15-13+/t17-,20-,21+,22+/m1/s1
InChIKeyMIWWJJPLMXFAPQ-UHPLILFHSA-N
MW324.44 g/mol
LogP5.46
Rot. Bonds5

About (2S,3S,4S,6R)-4-fluoro-3-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)oxane

(2S,3S,4S,6R)-4-fluoro-3-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)oxane (PubChem CID 154713510) has the molecular formula C22H25FO and a molecular weight of 324.44 g/mol. Its IUPAC name is (2S,3S,4S,6R)-4-fluoro-3-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)oxane.

Molecular Properties

Compound Name(2S,3S,4S,6R)-4-fluoro-3-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)oxane
PubChem CID154713510
Molecular FormulaC22H25FO
Molecular Weight324.44 g/mol
Exact Mass324.19
IUPAC Name(2S,3S,4S,6R)-4-fluoro-3-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)oxane
SMILESC[C@H]1[C@H](/C=C/c2ccccc2)O[C@H](CCc2ccccc2)C[C@@H]1F
InChIInChI=1S/C22H25FO/c1-17-21(23)16-20(14-12-18-8-4-2-5-9-18)24-22(17)15-13-19-10-6-3-7-11-19/h2-11,13,15,17,20-22H,12,14,16H2,1H3/b15-13+/t17-,20-,21+,22+/m1/s1
InChIKeyMIWWJJPLMXFAPQ-UHPLILFHSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.44
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S,3S,4S,6R)-4-fluoro-3-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)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

Bis(1-phenylethyl) ether
CID 62342
2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4S)-rel-
CID 15640305
2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4R)-rel-
CID 15640306
tetrahydro-4-methyl-2-phenyl-2H-pyran
CID 3024003
3,6-Dihydro-4,6-dimethyl-2-(1-phenylethyl)-2H-pyran
CID 122420336
Benzene, 1,1'-(methoxymethylene)bis-
CID 219159
2H-Pyran, tetrahydro-2-methyl-4-methylene-6-phenyl-
CID 121777
2,3-Diphenyl-1,4-dioxane
CID 271103
Diphenylmethyl propyl ether
CID 4651659
Tert-butyl diphenylmethyl ether
CID 255804
((1-Phenylethoxy)methyl)benzene
CID 11127587
1,1'-(Butoxymethylene)dibenzene
CID 348467

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,6R)-4-fluoro-3-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)oxane?
The IUPAC name of (2S,3S,4S,6R)-4-fluoro-3-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)oxane (CID 154713510) is (2S,3S,4S,6R)-4-fluoro-3-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)oxane.
What is the SMILES notation for (2S,3S,4S,6R)-4-fluoro-3-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)oxane?
The canonical SMILES for (2S,3S,4S,6R)-4-fluoro-3-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)oxane is C[C@H]1[C@H](/C=C/c2ccccc2)O[C@H](CCc2ccccc2)C[C@@H]1F.
What is the InChIKey of (2S,3S,4S,6R)-4-fluoro-3-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)oxane?
The InChIKey is MIWWJJPLMXFAPQ-UHPLILFHSA-N. The full InChI is InChI=1S/C22H25FO/c1-17-21(23)16-20(14-12-18-8-4-2-5-9-18)24-22(17)15-13-19-10-6-3-7-11-19/h2-11,13,15,17,20-22H,12,14,16H2,1H3/b15-13+/t17-,20-,21+,22+/m1/s1.
What are the key properties of (2S,3S,4S,6R)-4-fluoro-3-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)oxane?
(2S,3S,4S,6R)-4-fluoro-3-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)oxane has a molecular weight of 324.44 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,6R)-4-fluoro-3-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)oxane is sourced from PubChem (CID 154713510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).