(2S,3S,4R,5R)-2-(3,4-dimethoxy-5-methylphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane

C24H32O6 — CID 86576126

IUPAC(2S,3S,4R,5R)-2-(3,4-dimethoxy-5-methylphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane
SMILESCOc1cc([C@H]2O[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H](C)[C@@H]2C)cc(C)c1OC
InChIInChI=1S/C24H32O6/c1-13-9-16(10-18(25-4)21(13)28-7)22-14(2)15(3)23(30-22)17-11-19(26-5)24(29-8)20(12-17)27-6/h9-12,14-15,22-23H,1-8H3/t14-,15+,22-,23+/m0/s1
InChIKeyMCHZHRAQUKACRL-JEJQNCNXSA-N
MW416.51 g/mol
LogP5.12
Rot. Bonds7

About (2S,3S,4R,5R)-2-(3,4-dimethoxy-5-methylphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane

(2S,3S,4R,5R)-2-(3,4-dimethoxy-5-methylphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane (PubChem CID 86576126) has the molecular formula C24H32O6 and a molecular weight of 416.51 g/mol. Its IUPAC name is (2S,3S,4R,5R)-2-(3,4-dimethoxy-5-methylphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane.

Molecular Properties

Compound Name(2S,3S,4R,5R)-2-(3,4-dimethoxy-5-methylphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane
PubChem CID86576126
Molecular FormulaC24H32O6
Molecular Weight416.51 g/mol
Exact Mass416.22
IUPAC Name(2S,3S,4R,5R)-2-(3,4-dimethoxy-5-methylphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane
SMILESCOc1cc([C@H]2O[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H](C)[C@@H]2C)cc(C)c1OC
InChIInChI=1S/C24H32O6/c1-13-9-16(10-18(25-4)21(13)28-7)22-14(2)15(3)23(30-22)17-11-19(26-5)24(29-8)20(12-17)27-6/h9-12,14-15,22-23H,1-8H3/t14-,15+,22-,23+/m0/s1
InChIKeyMCHZHRAQUKACRL-JEJQNCNXSA-N
XLogP5.12
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.51
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2S,3R,4S,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
CID 163044948
4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
CID 131751451
5-[(2R,3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2,3-dimethoxyphenol
CID 118711164
(3R,3aR,6S,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CID 10049223
(1S,4aS,5S,8aS)-1,5-bis(3,4,5-trimethoxyphenyl)-1,3,4,4a,5,7,8,8a-octahydropyrano[4,3-c]pyran-3,7-diol
CID 11755912
4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol
CID 51694144
5-[(2S,3S,4S,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 102353917
(2S,5R)-2-methyl-5-(3,4,5-trimethoxyphenyl)oxolane
CID 142954682
4-[(2S,3S,4R,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 163003103
[5-(3,4-dimethoxy-5-methylphenyl)-2-methoxy-3,4,6-trimethylcyclohexyl]methyl formate
CID 123967052
(2S,3R,4S,5S,6R)-2-[4-[(1S,2R)-2-[4-[(2S,3S,4S,5R)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]-2,6-dimethoxyphenoxy]-1-hydroxypropyl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101023251
(2R,3S)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol
CID 163037517

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-2-(3,4-dimethoxy-5-methylphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane?
The IUPAC name of (2S,3S,4R,5R)-2-(3,4-dimethoxy-5-methylphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane (CID 86576126) is (2S,3S,4R,5R)-2-(3,4-dimethoxy-5-methylphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane.
What is the SMILES notation for (2S,3S,4R,5R)-2-(3,4-dimethoxy-5-methylphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane?
The canonical SMILES for (2S,3S,4R,5R)-2-(3,4-dimethoxy-5-methylphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane is COc1cc([C@H]2O[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H](C)[C@@H]2C)cc(C)c1OC.
What is the InChIKey of (2S,3S,4R,5R)-2-(3,4-dimethoxy-5-methylphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane?
The InChIKey is MCHZHRAQUKACRL-JEJQNCNXSA-N. The full InChI is InChI=1S/C24H32O6/c1-13-9-16(10-18(25-4)21(13)28-7)22-14(2)15(3)23(30-22)17-11-19(26-5)24(29-8)20(12-17)27-6/h9-12,14-15,22-23H,1-8H3/t14-,15+,22-,23+/m0/s1.
What are the key properties of (2S,3S,4R,5R)-2-(3,4-dimethoxy-5-methylphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane?
(2S,3S,4R,5R)-2-(3,4-dimethoxy-5-methylphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane has a molecular weight of 416.51 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-2-(3,4-dimethoxy-5-methylphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane is sourced from PubChem (CID 86576126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).