(2R,4R,5R)-5-[(E)-3-(2,6-dimethoxyphenyl)prop-2-enyl]-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-dioxane

C31H34O6 — CID 118720801

IUPAC(2R,4R,5R)-5-[(E)-3-(2,6-dimethoxyphenyl)prop-2-enyl]-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-dioxane
SMILESCOc1ccccc1/C=C/[C@@H]1OC[C@@H](C/C=C/c2c(OC)cccc2OC)[C@H](c2ccccc2OC)O1
InChIInChI=1S/C31H34O6/c1-32-26-15-7-5-11-22(26)19-20-30-36-21-23(31(37-30)25-13-6-8-16-29(25)35-4)12-9-14-24-27(33-2)17-10-18-28(24)34-3/h5-11,13-20,23,30-31H,12,21H2,1-4H3/b14-9+,20-19+/t23-,30-,31-/m1/s1
InChIKeyZRTJUSXVFCKOED-KMUPFZTJSA-N
MW502.61 g/mol
LogP6.57
Rot. Bonds10

About (2R,4R,5R)-5-[(E)-3-(2,6-dimethoxyphenyl)prop-2-enyl]-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-dioxane

(2R,4R,5R)-5-[(E)-3-(2,6-dimethoxyphenyl)prop-2-enyl]-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-dioxane (PubChem CID 118720801) has the molecular formula C31H34O6 and a molecular weight of 502.61 g/mol. Its IUPAC name is (2R,4R,5R)-5-[(E)-3-(2,6-dimethoxyphenyl)prop-2-enyl]-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-dioxane.

Molecular Properties

Compound Name(2R,4R,5R)-5-[(E)-3-(2,6-dimethoxyphenyl)prop-2-enyl]-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-dioxane
PubChem CID118720801
Molecular FormulaC31H34O6
Molecular Weight502.61 g/mol
Exact Mass502.24
IUPAC Name(2R,4R,5R)-5-[(E)-3-(2,6-dimethoxyphenyl)prop-2-enyl]-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-dioxane
SMILESCOc1ccccc1/C=C/[C@@H]1OC[C@@H](C/C=C/c2c(OC)cccc2OC)[C@H](c2ccccc2OC)O1
InChIInChI=1S/C31H34O6/c1-32-26-15-7-5-11-22(26)19-20-30-36-21-23(31(37-30)25-13-6-8-16-29(25)35-4)12-9-14-24-27(33-2)17-10-18-28(24)34-3/h5-11,13-20,23,30-31H,12,21H2,1-4H3/b14-9+,20-19+/t23-,30-,31-/m1/s1
InChIKeyZRTJUSXVFCKOED-KMUPFZTJSA-N
XLogP6.57
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.61
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,4R,5R)-5-[(E)-3-(2,6-dimethoxyphenyl)prop-2-enyl]-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-dioxane with MolForge

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Related Compounds

2-Methyl-1,3-bis(phenylmethoxy)benzene
CID 3620079
2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl
CID 16217985
1-Methoxy-6-phenyl-6H-benzo[c]chromene
CID 44305900
1-Isopropyl-2-[3-(3-methoxyphenoxy)propoxy]benzene
CID 2251897
(2R,4R,5R)-4-(3,4-dimethoxyphenyl)-5-[(E)-3-(2,6-dimethoxyphenyl)prop-2-enyl]-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-dioxane
CID 101893664
(2S,4S,5S)-4-(2,6-dimethoxyphenyl)-5-[(E)-3-(2,6-dimethoxyphenyl)prop-2-enyl]-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-dioxane
CID 118720799
(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
(2R,4R,5R)-4-(2,6-dimethoxyphenyl)-5-[(E)-3-(2,6-dimethoxyphenyl)prop-2-enyl]-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-dioxane
CID 118720802
(2R,4R,5R)-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dioxane
CID 118720803
Erycibenin F
CID 16093657
5,7,4'-Trimethoxyflavan
CID 21813969
(2S,4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene
CID 16746398

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-5-[(E)-3-(2,6-dimethoxyphenyl)prop-2-enyl]-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-dioxane?
The IUPAC name of (2R,4R,5R)-5-[(E)-3-(2,6-dimethoxyphenyl)prop-2-enyl]-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-dioxane (CID 118720801) is (2R,4R,5R)-5-[(E)-3-(2,6-dimethoxyphenyl)prop-2-enyl]-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-dioxane.
What is the SMILES notation for (2R,4R,5R)-5-[(E)-3-(2,6-dimethoxyphenyl)prop-2-enyl]-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-dioxane?
The canonical SMILES for (2R,4R,5R)-5-[(E)-3-(2,6-dimethoxyphenyl)prop-2-enyl]-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-dioxane is COc1ccccc1/C=C/[C@@H]1OC[C@@H](C/C=C/c2c(OC)cccc2OC)[C@H](c2ccccc2OC)O1.
What is the InChIKey of (2R,4R,5R)-5-[(E)-3-(2,6-dimethoxyphenyl)prop-2-enyl]-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-dioxane?
The InChIKey is ZRTJUSXVFCKOED-KMUPFZTJSA-N. The full InChI is InChI=1S/C31H34O6/c1-32-26-15-7-5-11-22(26)19-20-30-36-21-23(31(37-30)25-13-6-8-16-29(25)35-4)12-9-14-24-27(33-2)17-10-18-28(24)34-3/h5-11,13-20,23,30-31H,12,21H2,1-4H3/b14-9+,20-19+/t23-,30-,31-/m1/s1.
What are the key properties of (2R,4R,5R)-5-[(E)-3-(2,6-dimethoxyphenyl)prop-2-enyl]-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-dioxane?
(2R,4R,5R)-5-[(E)-3-(2,6-dimethoxyphenyl)prop-2-enyl]-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-dioxane has a molecular weight of 502.61 g/mol, XLogP of 6.57, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-5-[(E)-3-(2,6-dimethoxyphenyl)prop-2-enyl]-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-dioxane is sourced from PubChem (CID 118720801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).