(2R,4R,5R)-2-phenyl-5-(phenylmethoxymethyl)-4-prop-1-en-2-yl-1,3-dioxane

C21H24O3 — CID 11023789

IUPAC(2R,4R,5R)-2-phenyl-5-(phenylmethoxymethyl)-4-prop-1-en-2-yl-1,3-dioxane
SMILESC=C(C)[C@@H]1O[C@H](c2ccccc2)OC[C@H]1COCc1ccccc1
InChIInChI=1S/C21H24O3/c1-16(2)20-19(14-22-13-17-9-5-3-6-10-17)15-23-21(24-20)18-11-7-4-8-12-18/h3-12,19-21H,1,13-15H2,2H3/t19-,20+,21-/m1/s1
InChIKeyLOCAHURTGLCZGL-QHAWAJNXSA-N
MW324.42 g/mol
LogP4.51
Rot. Bonds6

About (2R,4R,5R)-2-phenyl-5-(phenylmethoxymethyl)-4-prop-1-en-2-yl-1,3-dioxane

(2R,4R,5R)-2-phenyl-5-(phenylmethoxymethyl)-4-prop-1-en-2-yl-1,3-dioxane (PubChem CID 11023789) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2R,4R,5R)-2-phenyl-5-(phenylmethoxymethyl)-4-prop-1-en-2-yl-1,3-dioxane.

Molecular Properties

Compound Name(2R,4R,5R)-2-phenyl-5-(phenylmethoxymethyl)-4-prop-1-en-2-yl-1,3-dioxane
PubChem CID11023789
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Name(2R,4R,5R)-2-phenyl-5-(phenylmethoxymethyl)-4-prop-1-en-2-yl-1,3-dioxane
SMILESC=C(C)[C@@H]1O[C@H](c2ccccc2)OC[C@H]1COCc1ccccc1
InChIInChI=1S/C21H24O3/c1-16(2)20-19(14-22-13-17-9-5-3-6-10-17)15-23-21(24-20)18-11-7-4-8-12-18/h3-12,19-21H,1,13-15H2,2H3/t19-,20+,21-/m1/s1
InChIKeyLOCAHURTGLCZGL-QHAWAJNXSA-N
XLogP4.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(4S,5S)-2-(4-methoxyphenyl)-5-(phenylmethoxymethyl)-1,3-dioxan-4-yl]methanol
CID 11221635
4-methyl-2-phenyl-1,3-dioxolane;phenylmethoxymethylbenzene
CID 175322944
(2S,3R,4S,5E,7E)-2,4,6-trimethyl-8-[(2R,4S,5R)-5-methyl-2-phenyl-1,3-dioxan-4-yl]-1-phenylmethoxyocta-5,7-dien-3-ol
CID 101373104
(2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol
CID 24764148
(4S)-4-(naphthalen-2-ylmethoxymethyl)-2-phenyl-1,3-dioxan-5-ol
CID 71170081
(4R,5R)-2-(4-methoxyphenyl)-4-[2-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethyl]-1,3-dioxan-5-ol
CID 73054112
(4S,5R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-phenyl-1,3-dioxan-5-ol
CID 11313942
(2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane
CID 10994244
5-[[methyl(phenylmethoxy)phosphoryl]oxymethyl]-2-phenyl-1,3-dioxolane-4-carboxylic acid
CID 159719026
(2R,4aR,6S,7R,8aR)-7-[(1S,2S)-1-hydroxy-2-methyl-3-phenylmethoxypropyl]-6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one
CID 23254317
(4S,5S)-4-[3-[(4-methoxyphenyl)methoxy]propyl]-2-phenyl-1,3-dioxan-5-ol
CID 11268344
(4R,5R)-2-(4-methoxyphenyl)-5-phenylmethoxy-4-[2-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethyl]-1,3-dioxane
CID 73054113

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-2-phenyl-5-(phenylmethoxymethyl)-4-prop-1-en-2-yl-1,3-dioxane?
The IUPAC name of (2R,4R,5R)-2-phenyl-5-(phenylmethoxymethyl)-4-prop-1-en-2-yl-1,3-dioxane (CID 11023789) is (2R,4R,5R)-2-phenyl-5-(phenylmethoxymethyl)-4-prop-1-en-2-yl-1,3-dioxane.
What is the SMILES notation for (2R,4R,5R)-2-phenyl-5-(phenylmethoxymethyl)-4-prop-1-en-2-yl-1,3-dioxane?
The canonical SMILES for (2R,4R,5R)-2-phenyl-5-(phenylmethoxymethyl)-4-prop-1-en-2-yl-1,3-dioxane is C=C(C)[C@@H]1O[C@H](c2ccccc2)OC[C@H]1COCc1ccccc1.
What is the InChIKey of (2R,4R,5R)-2-phenyl-5-(phenylmethoxymethyl)-4-prop-1-en-2-yl-1,3-dioxane?
The InChIKey is LOCAHURTGLCZGL-QHAWAJNXSA-N. The full InChI is InChI=1S/C21H24O3/c1-16(2)20-19(14-22-13-17-9-5-3-6-10-17)15-23-21(24-20)18-11-7-4-8-12-18/h3-12,19-21H,1,13-15H2,2H3/t19-,20+,21-/m1/s1.
What are the key properties of (2R,4R,5R)-2-phenyl-5-(phenylmethoxymethyl)-4-prop-1-en-2-yl-1,3-dioxane?
(2R,4R,5R)-2-phenyl-5-(phenylmethoxymethyl)-4-prop-1-en-2-yl-1,3-dioxane has a molecular weight of 324.42 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-2-phenyl-5-(phenylmethoxymethyl)-4-prop-1-en-2-yl-1,3-dioxane is sourced from PubChem (CID 11023789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).