(2S,4S,5S)-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dioxane

C30H32O5 — CID 118720800

IUPAC(2S,4S,5S)-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dioxane
SMILESCOc1ccccc1/C=C/C[C@H]1CO[C@H](/C=C/c2ccccc2OC)O[C@@H]1c1ccccc1OC
InChIInChI=1S/C30H32O5/c1-31-26-16-7-4-11-22(26)13-10-14-24-21-34-29(20-19-23-12-5-8-17-27(23)32-2)35-30(24)25-15-6-9-18-28(25)33-3/h4-13,15-20,24,29-30H,14,21H2,1-3H3/b13-10+,20-19+/t24-,29-,30-/m0/s1
InChIKeyWCEFOXUILOSDFG-FUMILJRZSA-N
MW472.58 g/mol
LogP6.56
Rot. Bonds9

About (2S,4S,5S)-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dioxane

(2S,4S,5S)-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dioxane (PubChem CID 118720800) has the molecular formula C30H32O5 and a molecular weight of 472.58 g/mol. Its IUPAC name is (2S,4S,5S)-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dioxane.

Molecular Properties

Compound Name(2S,4S,5S)-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dioxane
PubChem CID118720800
Molecular FormulaC30H32O5
Molecular Weight472.58 g/mol
Exact Mass472.22
IUPAC Name(2S,4S,5S)-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dioxane
SMILESCOc1ccccc1/C=C/C[C@H]1CO[C@H](/C=C/c2ccccc2OC)O[C@@H]1c1ccccc1OC
InChIInChI=1S/C30H32O5/c1-31-26-16-7-4-11-22(26)13-10-14-24-21-34-29(20-19-23-12-5-8-17-27(23)32-2)35-30(24)25-15-6-9-18-28(25)33-3/h4-13,15-20,24,29-30H,14,21H2,1-3H3/b13-10+,20-19+/t24-,29-,30-/m0/s1
InChIKeyWCEFOXUILOSDFG-FUMILJRZSA-N
XLogP6.56
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.58
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S,4S,5S)-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dioxane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dioxane?
The IUPAC name of (2S,4S,5S)-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dioxane (CID 118720800) is (2S,4S,5S)-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dioxane.
What is the SMILES notation for (2S,4S,5S)-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dioxane?
The canonical SMILES for (2S,4S,5S)-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dioxane is COc1ccccc1/C=C/C[C@H]1CO[C@H](/C=C/c2ccccc2OC)O[C@@H]1c1ccccc1OC.
What is the InChIKey of (2S,4S,5S)-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dioxane?
The InChIKey is WCEFOXUILOSDFG-FUMILJRZSA-N. The full InChI is InChI=1S/C30H32O5/c1-31-26-16-7-4-11-22(26)13-10-14-24-21-34-29(20-19-23-12-5-8-17-27(23)32-2)35-30(24)25-15-6-9-18-28(25)33-3/h4-13,15-20,24,29-30H,14,21H2,1-3H3/b13-10+,20-19+/t24-,29-,30-/m0/s1.
What are the key properties of (2S,4S,5S)-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dioxane?
(2S,4S,5S)-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dioxane has a molecular weight of 472.58 g/mol, XLogP of 6.56, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dioxane is sourced from PubChem (CID 118720800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).