[(2R,4R,5R)-2-(4-methoxyphenyl)-5-propoxy-1,3-dioxan-4-yl]methanol

C15H22O5 — CID 71146249

IUPAC[(2R,4R,5R)-2-(4-methoxyphenyl)-5-propoxy-1,3-dioxan-4-yl]methanol
SMILESCCCO[C@@H]1CO[C@@H](c2ccc(OC)cc2)O[C@@H]1CO
InChIInChI=1S/C15H22O5/c1-3-8-18-14-10-19-15(20-13(14)9-16)11-4-6-12(17-2)7-5-11/h4-7,13-16H,3,8-10H2,1-2H3/t13-,14-,15-/m1/s1
InChIKeyWWDLHPOZUGEZID-RBSFLKMASA-N
MW282.34 g/mol
LogP1.90
Rot. Bonds6

About [(2R,4R,5R)-2-(4-methoxyphenyl)-5-propoxy-1,3-dioxan-4-yl]methanol

[(2R,4R,5R)-2-(4-methoxyphenyl)-5-propoxy-1,3-dioxan-4-yl]methanol (PubChem CID 71146249) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is [(2R,4R,5R)-2-(4-methoxyphenyl)-5-propoxy-1,3-dioxan-4-yl]methanol.

Molecular Properties

Compound Name[(2R,4R,5R)-2-(4-methoxyphenyl)-5-propoxy-1,3-dioxan-4-yl]methanol
PubChem CID71146249
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name[(2R,4R,5R)-2-(4-methoxyphenyl)-5-propoxy-1,3-dioxan-4-yl]methanol
SMILESCCCO[C@@H]1CO[C@@H](c2ccc(OC)cc2)O[C@@H]1CO
InChIInChI=1S/C15H22O5/c1-3-8-18-14-10-19-15(20-13(14)9-16)11-4-6-12(17-2)7-5-11/h4-7,13-16H,3,8-10H2,1-2H3/t13-,14-,15-/m1/s1
InChIKeyWWDLHPOZUGEZID-RBSFLKMASA-N
XLogP1.90
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R,4R,5R)-2-(4-methoxyphenyl)-5-propoxy-1,3-dioxan-4-yl]methanol 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

(2S,4R,5R)-4-[(2R,4R,5R)-5-hydroxy-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-2-(4-methoxyphenyl)-1,3-dioxan-5-ol
CID 86310159
[(4S,5S)-2-(4-methoxyphenyl)-5-(phenylmethoxymethyl)-1,3-dioxan-4-yl]methanol
CID 11221635
[(2R,4S,5R)-2-phenyl-5-triethylsilyloxy-1,3-dioxan-4-yl]methanol
CID 102054254
(2R)-2-[[(2R,4S,5R)-2-(4-methoxyphenyl)-4-prop-2-enyl-1,3-dioxan-5-yl]oxy]pent-4-en-1-ol
CID 101354260
CID 59269508
CID 59269508
(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
2-(4-methoxyphenyl)-1,3-dioxan-5-ol
CID 13478629
4-(chloromethyl)-2-(4-propoxyphenyl)-1,3-dioxolane
CID 82774938
(2S,4S,5S)-2-(4-methoxyphenyl)-4-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5-methyl-1,3-dioxane
CID 11825831
(2S)-2-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propan-1-ol
CID 129384933
(2S)-2-[(4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propan-1-ol
CID 11054609
(2R,5S)-5-[[(6S,8aS)-7,8-dihydroxy-2-(4-methoxyphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-(hydroxymethyl)oxane-2,3,4-triol
CID 134839378

Frequently Asked Questions

What is the IUPAC name of [(2R,4R,5R)-2-(4-methoxyphenyl)-5-propoxy-1,3-dioxan-4-yl]methanol?
The IUPAC name of [(2R,4R,5R)-2-(4-methoxyphenyl)-5-propoxy-1,3-dioxan-4-yl]methanol (CID 71146249) is [(2R,4R,5R)-2-(4-methoxyphenyl)-5-propoxy-1,3-dioxan-4-yl]methanol.
What is the SMILES notation for [(2R,4R,5R)-2-(4-methoxyphenyl)-5-propoxy-1,3-dioxan-4-yl]methanol?
The canonical SMILES for [(2R,4R,5R)-2-(4-methoxyphenyl)-5-propoxy-1,3-dioxan-4-yl]methanol is CCCO[C@@H]1CO[C@@H](c2ccc(OC)cc2)O[C@@H]1CO.
What is the InChIKey of [(2R,4R,5R)-2-(4-methoxyphenyl)-5-propoxy-1,3-dioxan-4-yl]methanol?
The InChIKey is WWDLHPOZUGEZID-RBSFLKMASA-N. The full InChI is InChI=1S/C15H22O5/c1-3-8-18-14-10-19-15(20-13(14)9-16)11-4-6-12(17-2)7-5-11/h4-7,13-16H,3,8-10H2,1-2H3/t13-,14-,15-/m1/s1.
What are the key properties of [(2R,4R,5R)-2-(4-methoxyphenyl)-5-propoxy-1,3-dioxan-4-yl]methanol?
[(2R,4R,5R)-2-(4-methoxyphenyl)-5-propoxy-1,3-dioxan-4-yl]methanol has a molecular weight of 282.34 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R,5R)-2-(4-methoxyphenyl)-5-propoxy-1,3-dioxan-4-yl]methanol is sourced from PubChem (CID 71146249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).