(3S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4-diol

C20H24O6 — CID 170396579

IUPAC(3S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4-diol
SMILESCOc1ccc(Cc2ccccc2OC2CC(O)[C@H](O)C(CO)O2)cc1
InChIInChI=1S/C20H24O6/c1-24-15-8-6-13(7-9-15)10-14-4-2-3-5-17(14)25-19-11-16(22)20(23)18(12-21)26-19/h2-9,16,18-23H,10-12H2,1H3/t16?,18?,19?,20-/m0/s1
InChIKeyBDNAXRWJJPLGGT-GXVYMARFSA-N
MW360.41 g/mol
LogP1.49
Rot. Bonds6

About (3S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4-diol

(3S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4-diol (PubChem CID 170396579) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is (3S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4-diol.

Molecular Properties

Compound Name(3S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4-diol
PubChem CID170396579
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Name(3S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4-diol
SMILESCOc1ccc(Cc2ccccc2OC2CC(O)[C@H](O)C(CO)O2)cc1
InChIInChI=1S/C20H24O6/c1-24-15-8-6-13(7-9-15)10-14-4-2-3-5-17(14)25-19-11-16(22)20(23)18(12-21)26-19/h2-9,16,18-23H,10-12H2,1H3/t16?,18?,19?,20-/m0/s1
InChIKeyBDNAXRWJJPLGGT-GXVYMARFSA-N
XLogP1.49
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(4-methoxyphenyl)methyl]phenoxy]-6-methyloxane-3,4,5-triol
CID 70981169
(2S,6R)-2-[2-[(4-methoxyphenyl)methyl]phenoxy]-6-methyloxane
CID 66634376
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]-3-methyloxane-3,4,5-triol
CID 68989703
hydroxy-[[4-hydroxy-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxan-2-yl]methoxy]-oxoazanium
CID 123853344
(2R,3R,4S,5S,6R)-2-[2-[(4-ethylphenyl)methyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 69014613
(2S,3R,4S,5S,6R)-2-[2-[(4-ethylphenyl)methyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10109940
2-methoxyethyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3-carboxylate
CID 91400947
[(3S)-6-(2-benzylphenoxy)-3,4-dihydroxyoxan-2-yl]methyl ethyl carbonate
CID 143843045
4-[(2R,4R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[(4-methoxyphenyl)methyl]benzonitrile
CID 143526213
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[(4-methylsulfanylphenyl)methyl]phenoxy]oxane-3,4,5-triol
CID 67460493
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenoxy]oxane-3,4,5-triol
CID 10181087
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]-3-methylphenoxy]oxane-3,4,5-triol
CID 67458021

Frequently Asked Questions

What is the IUPAC name of (3S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4-diol?
The IUPAC name of (3S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4-diol (CID 170396579) is (3S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4-diol.
What is the SMILES notation for (3S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4-diol?
The canonical SMILES for (3S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4-diol is COc1ccc(Cc2ccccc2OC2CC(O)[C@H](O)C(CO)O2)cc1.
What is the InChIKey of (3S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4-diol?
The InChIKey is BDNAXRWJJPLGGT-GXVYMARFSA-N. The full InChI is InChI=1S/C20H24O6/c1-24-15-8-6-13(7-9-15)10-14-4-2-3-5-17(14)25-19-11-16(22)20(23)18(12-21)26-19/h2-9,16,18-23H,10-12H2,1H3/t16?,18?,19?,20-/m0/s1.
What are the key properties of (3S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4-diol?
(3S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4-diol has a molecular weight of 360.41 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4-diol is sourced from PubChem (CID 170396579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).