[(2S,3R,4S,5S,6R)-4-methoxy-6-[(4-methoxyphenyl)methoxymethyl]-3,5-dimethyloxan-2-yl]methanol

C18H28O5 — CID 102300419

IUPAC[(2S,3R,4S,5S,6R)-4-methoxy-6-[(4-methoxyphenyl)methoxymethyl]-3,5-dimethyloxan-2-yl]methanol
SMILESCOc1ccc(COC[C@@H]2O[C@H](CO)[C@H](C)[C@H](OC)[C@@H]2C)cc1
InChIInChI=1S/C18H28O5/c1-12-16(9-19)23-17(13(2)18(12)21-4)11-22-10-14-5-7-15(20-3)8-6-14/h5-8,12-13,16-19H,9-11H2,1-4H3/t12-,13+,16+,17-,18-/m0/s1
InChIKeyKUAUTQVGNZARQG-XNKXANNVSA-N
MW324.42 g/mol
LogP2.26
Rot. Bonds7

About [(2S,3R,4S,5S,6R)-4-methoxy-6-[(4-methoxyphenyl)methoxymethyl]-3,5-dimethyloxan-2-yl]methanol

[(2S,3R,4S,5S,6R)-4-methoxy-6-[(4-methoxyphenyl)methoxymethyl]-3,5-dimethyloxan-2-yl]methanol (PubChem CID 102300419) has the molecular formula C18H28O5 and a molecular weight of 324.42 g/mol. Its IUPAC name is [(2S,3R,4S,5S,6R)-4-methoxy-6-[(4-methoxyphenyl)methoxymethyl]-3,5-dimethyloxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R,4S,5S,6R)-4-methoxy-6-[(4-methoxyphenyl)methoxymethyl]-3,5-dimethyloxan-2-yl]methanol
PubChem CID102300419
Molecular FormulaC18H28O5
Molecular Weight324.42 g/mol
Exact Mass324.19
IUPAC Name[(2S,3R,4S,5S,6R)-4-methoxy-6-[(4-methoxyphenyl)methoxymethyl]-3,5-dimethyloxan-2-yl]methanol
SMILESCOc1ccc(COC[C@@H]2O[C@H](CO)[C@H](C)[C@H](OC)[C@@H]2C)cc1
InChIInChI=1S/C18H28O5/c1-12-16(9-19)23-17(13(2)18(12)21-4)11-22-10-14-5-7-15(20-3)8-6-14/h5-8,12-13,16-19H,9-11H2,1-4H3/t12-,13+,16+,17-,18-/m0/s1
InChIKeyKUAUTQVGNZARQG-XNKXANNVSA-N
XLogP2.26
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S,3R,4S,5S,6R)-4-methoxy-6-[(4-methoxyphenyl)methoxymethyl]-3,5-dimethyloxan-2-yl]methanol with MolForge

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Related Compounds

[(2S,3S)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]methanol
CID 11053700
(4S,5S)-5-[(4-methoxyphenyl)methoxymethyl]oxolane-2,4-diol
CID 171123464
(2S,3R,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]-5-methyloxolane
CID 59994424
(2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol
CID 171122948
[(2R,3R,4S,5S)-5-[(2S,3S,4R,5R)-2-methoxy-5-[(4-methoxyphenyl)methoxymethyl]-4-phenylmethoxyoxolan-3-yl]oxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 46895944
(3R,4S)-5-azido-2-[(4-methoxyphenyl)methoxymethyl]-3,4,6-trimethyloxane
CID 58183798
(2R,3R,4S,5S,6R)-3,4-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-2-ol
CID 171123644
[(2R,3R)-3-[(2R)-2-[(4-methoxyphenyl)methoxy]propyl]oxiran-2-yl]methanol
CID 24756271
(2R,3S,4S,5R)-4-azido-5,6-dimethoxy-2-[(4-methoxyphenyl)methoxymethyl]oxan-3-ol
CID 56632277
[(4S,5S)-2-(4-methoxyphenyl)-5-(phenylmethoxymethyl)-1,3-dioxan-4-yl]methanol
CID 11221635
(2S)-3-[(2R,4S,5R)-6-[(4-methoxyphenyl)methoxymethyl]-3,4,5-trimethyloxan-2-yl]oxy-2-methylbutanoic acid
CID 58183820
6-[(4-methoxyphenyl)methoxymethyl]-4-prop-2-enoxyoxane-2,3,5-triol
CID 171126360

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5S,6R)-4-methoxy-6-[(4-methoxyphenyl)methoxymethyl]-3,5-dimethyloxan-2-yl]methanol?
The IUPAC name of [(2S,3R,4S,5S,6R)-4-methoxy-6-[(4-methoxyphenyl)methoxymethyl]-3,5-dimethyloxan-2-yl]methanol (CID 102300419) is [(2S,3R,4S,5S,6R)-4-methoxy-6-[(4-methoxyphenyl)methoxymethyl]-3,5-dimethyloxan-2-yl]methanol.
What is the SMILES notation for [(2S,3R,4S,5S,6R)-4-methoxy-6-[(4-methoxyphenyl)methoxymethyl]-3,5-dimethyloxan-2-yl]methanol?
The canonical SMILES for [(2S,3R,4S,5S,6R)-4-methoxy-6-[(4-methoxyphenyl)methoxymethyl]-3,5-dimethyloxan-2-yl]methanol is COc1ccc(COC[C@@H]2O[C@H](CO)[C@H](C)[C@H](OC)[C@@H]2C)cc1.
What is the InChIKey of [(2S,3R,4S,5S,6R)-4-methoxy-6-[(4-methoxyphenyl)methoxymethyl]-3,5-dimethyloxan-2-yl]methanol?
The InChIKey is KUAUTQVGNZARQG-XNKXANNVSA-N. The full InChI is InChI=1S/C18H28O5/c1-12-16(9-19)23-17(13(2)18(12)21-4)11-22-10-14-5-7-15(20-3)8-6-14/h5-8,12-13,16-19H,9-11H2,1-4H3/t12-,13+,16+,17-,18-/m0/s1.
What are the key properties of [(2S,3R,4S,5S,6R)-4-methoxy-6-[(4-methoxyphenyl)methoxymethyl]-3,5-dimethyloxan-2-yl]methanol?
[(2S,3R,4S,5S,6R)-4-methoxy-6-[(4-methoxyphenyl)methoxymethyl]-3,5-dimethyloxan-2-yl]methanol has a molecular weight of 324.42 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,5S,6R)-4-methoxy-6-[(4-methoxyphenyl)methoxymethyl]-3,5-dimethyloxan-2-yl]methanol is sourced from PubChem (CID 102300419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).