(2R,3R)-2,3-bis(2-phenylphenoxy)-1,4-dioxane

C28H24O4 — CID 2311165

IUPAC(2R,3R)-2,3-bis(2-phenylphenoxy)-1,4-dioxane
SMILESc1ccc(-c2ccccc2O[C@H]2OCCO[C@@H]2Oc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C28H24O4/c1-3-11-21(12-4-1)23-15-7-9-17-25(23)31-27-28(30-20-19-29-27)32-26-18-10-8-16-24(26)22-13-5-2-6-14-22/h1-18,27-28H,19-20H2/t27-,28-/m1/s1
InChIKeyYAXDSMYNNBMXKF-VSGBNLITSA-N
MW424.50 g/mol
LogP6.18
Rot. Bonds6

About (2R,3R)-2,3-bis(2-phenylphenoxy)-1,4-dioxane

(2R,3R)-2,3-bis(2-phenylphenoxy)-1,4-dioxane (PubChem CID 2311165) has the molecular formula C28H24O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is (2R,3R)-2,3-bis(2-phenylphenoxy)-1,4-dioxane.

Molecular Properties

Compound Name(2R,3R)-2,3-bis(2-phenylphenoxy)-1,4-dioxane
PubChem CID2311165
Molecular FormulaC28H24O4
Molecular Weight424.50 g/mol
Exact Mass424.17
IUPAC Name(2R,3R)-2,3-bis(2-phenylphenoxy)-1,4-dioxane
SMILESc1ccc(-c2ccccc2O[C@H]2OCCO[C@@H]2Oc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C28H24O4/c1-3-11-21(12-4-1)23-15-7-9-17-25(23)31-27-28(30-20-19-29-27)32-26-18-10-8-16-24(26)22-13-5-2-6-14-22/h1-18,27-28H,19-20H2/t27-,28-/m1/s1
InChIKeyYAXDSMYNNBMXKF-VSGBNLITSA-N
XLogP6.18
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1'-Biphenyl, mixt. with 1,1'-oxybis(benzene)
CID 24670
1-(Benzyloxy)-2-(2-phenylethyl)benzene
CID 11973811
7,8-Dihydro-6H-chromeno[3,2-d]xanthene
CID 4128935
3-[4-(2-Phenylmethoxyphenyl)phenyl]-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 72206182
(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-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dioxane
CID 118720803
[Phenoxy(diphenyl)methyl]benzene
CID 226770
2-[2-(4-Phenylmethoxyphenoxy)ethoxy]oxane
CID 10640015
9-(9H-Xanthen-9-ylidene)-9H-xanthene
CID 68202
1,3-Dioxolane, 2-[2-(4-benzyloxy)phenylethyl]-
CID 563840
3-[1-[4-[4-[1-(1,2,5-Trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane
CID 25004120
3-[1-[4-[3-[4-[1-(1,2,5-Trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane
CID 25159215

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-bis(2-phenylphenoxy)-1,4-dioxane?
The IUPAC name of (2R,3R)-2,3-bis(2-phenylphenoxy)-1,4-dioxane (CID 2311165) is (2R,3R)-2,3-bis(2-phenylphenoxy)-1,4-dioxane.
What is the SMILES notation for (2R,3R)-2,3-bis(2-phenylphenoxy)-1,4-dioxane?
The canonical SMILES for (2R,3R)-2,3-bis(2-phenylphenoxy)-1,4-dioxane is c1ccc(-c2ccccc2O[C@H]2OCCO[C@@H]2Oc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of (2R,3R)-2,3-bis(2-phenylphenoxy)-1,4-dioxane?
The InChIKey is YAXDSMYNNBMXKF-VSGBNLITSA-N. The full InChI is InChI=1S/C28H24O4/c1-3-11-21(12-4-1)23-15-7-9-17-25(23)31-27-28(30-20-19-29-27)32-26-18-10-8-16-24(26)22-13-5-2-6-14-22/h1-18,27-28H,19-20H2/t27-,28-/m1/s1.
What are the key properties of (2R,3R)-2,3-bis(2-phenylphenoxy)-1,4-dioxane?
(2R,3R)-2,3-bis(2-phenylphenoxy)-1,4-dioxane has a molecular weight of 424.50 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-bis(2-phenylphenoxy)-1,4-dioxane is sourced from PubChem (CID 2311165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).