[(2R,4R,5R)-2-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-4-yl]methanol

C20H24O6 — CID 102489225

IUPAC[(2R,4R,5R)-2-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-4-yl]methanol
SMILESCOc1cc([C@H]2O[C@@H](c3ccc(C)cc3)O[C@@H]2CO)cc(OC)c1OC
InChIInChI=1S/C20H24O6/c1-12-5-7-13(8-6-12)20-25-17(11-21)18(26-20)14-9-15(22-2)19(24-4)16(10-14)23-3/h5-10,17-18,20-21H,11H2,1-4H3/t17-,18-,20+/m1/s1
InChIKeyDGWCELDADXHUAS-GGPKGHCWSA-N
MW360.41 g/mol
LogP3.17
Rot. Bonds6

About [(2R,4R,5R)-2-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-4-yl]methanol

[(2R,4R,5R)-2-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-4-yl]methanol (PubChem CID 102489225) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is [(2R,4R,5R)-2-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(2R,4R,5R)-2-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-4-yl]methanol
PubChem CID102489225
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Name[(2R,4R,5R)-2-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-4-yl]methanol
SMILESCOc1cc([C@H]2O[C@@H](c3ccc(C)cc3)O[C@@H]2CO)cc(OC)c1OC
InChIInChI=1S/C20H24O6/c1-12-5-7-13(8-6-12)20-25-17(11-21)18(26-20)14-9-15(22-2)19(24-4)16(10-14)23-3/h5-10,17-18,20-21H,11H2,1-4H3/t17-,18-,20+/m1/s1
InChIKeyDGWCELDADXHUAS-GGPKGHCWSA-N
XLogP3.17
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R,4R,5R)-2-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-4-yl]methanol with MolForge

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Related Compounds

[(2S,4S,5S)-5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 141385272
(2R,3R,4S,5S,6R)-2-[4-[(3S,3aS,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162833092
(1R)-1-[(4R,5R,6S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-6-(hydroxymethyl)-1,3-dioxan-4-yl]ethane-1,2-diol
CID 70019594
(4S)-3-methylidene-4-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 131974451
(2R,3R,4aR,6R,7S,8S,8aR)-2-(4-hydroxy-3-methoxyphenyl)-3,6-bis(hydroxymethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol
CID 162884808
[(2R,3R)-3-(3-methylphenyl)oxiran-2-yl]methanol
CID 54327905
(2R,3S,4aR,6S,7S,8S,8aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2,6-bis(hydroxymethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol
CID 163014909
[(4S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 719727
(2S,3S,4R,5R)-2-(3,4-dimethoxy-5-methylphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane
CID 86576126
(2R,3R,4S,5S,6R)-2-[4-[(3R,3aS,6S,6aR)-3-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162974604
(2R,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-3-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162974606
3-(4-hydroxy-3-methoxyphenyl)-2,6-bis(hydroxymethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol
CID 163080512

Frequently Asked Questions

What is the IUPAC name of [(2R,4R,5R)-2-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(2R,4R,5R)-2-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-4-yl]methanol (CID 102489225) is [(2R,4R,5R)-2-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(2R,4R,5R)-2-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(2R,4R,5R)-2-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-4-yl]methanol is COc1cc([C@H]2O[C@@H](c3ccc(C)cc3)O[C@@H]2CO)cc(OC)c1OC.
What is the InChIKey of [(2R,4R,5R)-2-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is DGWCELDADXHUAS-GGPKGHCWSA-N. The full InChI is InChI=1S/C20H24O6/c1-12-5-7-13(8-6-12)20-25-17(11-21)18(26-20)14-9-15(22-2)19(24-4)16(10-14)23-3/h5-10,17-18,20-21H,11H2,1-4H3/t17-,18-,20+/m1/s1.
What are the key properties of [(2R,4R,5R)-2-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-4-yl]methanol?
[(2R,4R,5R)-2-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 360.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R,5R)-2-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 102489225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).