2-(hydroxymethyl)-6-[2-[3-(hydroxymethyl)phenyl]phenoxy]oxane-3,4-diol

C19H22O6 — CID 142590214

IUPAC2-(hydroxymethyl)-6-[2-[3-(hydroxymethyl)phenyl]phenoxy]oxane-3,4-diol
SMILESOCc1cccc(-c2ccccc2OC2CC(O)C(O)C(CO)O2)c1
InChIInChI=1S/C19H22O6/c20-10-12-4-3-5-13(8-12)14-6-1-2-7-16(14)24-18-9-15(22)19(23)17(11-21)25-18/h1-8,15,17-23H,9-11H2
InChIKeyDZAABJPPTSNQEU-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.05
Rot. Bonds5

About 2-(hydroxymethyl)-6-[2-[3-(hydroxymethyl)phenyl]phenoxy]oxane-3,4-diol

2-(hydroxymethyl)-6-[2-[3-(hydroxymethyl)phenyl]phenoxy]oxane-3,4-diol (PubChem CID 142590214) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[2-[3-(hydroxymethyl)phenyl]phenoxy]oxane-3,4-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-[2-[3-(hydroxymethyl)phenyl]phenoxy]oxane-3,4-diol
PubChem CID142590214
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Name2-(hydroxymethyl)-6-[2-[3-(hydroxymethyl)phenyl]phenoxy]oxane-3,4-diol
SMILESOCc1cccc(-c2ccccc2OC2CC(O)C(O)C(CO)O2)c1
InChIInChI=1S/C19H22O6/c20-10-12-4-3-5-13(8-12)14-6-1-2-7-16(14)24-18-9-15(22)19(23)17(11-21)25-18/h1-8,15,17-23H,9-11H2
InChIKeyDZAABJPPTSNQEU-UHFFFAOYSA-N
XLogP1.05
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,4S,5S,6R)-2-[2-[3-(2-hydroxyethyl)phenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 54271958
(3S,4R,6S)-6-(2-anilinophenoxy)-2-(hydroxymethyl)oxane-3,4-diol
CID 163726855
2-[[3-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]methoxy]acetic acid
CID 10574134
(3S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4-diol
CID 170396579
2-(hydroxymethyl)-6-(2-methylquinolin-8-yl)oxyoxane-3,4-diol
CID 142590144
(3R,4R,6S)-6-[2-(3-fluorophenyl)phenoxy]-2-(hydroxymethyl)-5-methyloxane-3,4-diol
CID 160775249
(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5-methyl-6-(2-phenylphenoxy)oxane-3,4-diol
CID 170240327
N-[3-[2-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]methanesulfonamide
CID 149283677
azulen-2-ylmethanol;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 67648023
(3R,4R,6S)-2-(hydroxymethyl)-5-methyl-6-[2-[3-(trifluoromethyl)phenyl]phenoxy]oxane-3,4-diol
CID 161009433
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(2-methyl-3-phenylphenoxy)oxane-3,4,5-triol
CID 68767837
2-[3-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenoxy]acetic acid
CID 19389574

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[2-[3-(hydroxymethyl)phenyl]phenoxy]oxane-3,4-diol?
The IUPAC name of 2-(hydroxymethyl)-6-[2-[3-(hydroxymethyl)phenyl]phenoxy]oxane-3,4-diol (CID 142590214) is 2-(hydroxymethyl)-6-[2-[3-(hydroxymethyl)phenyl]phenoxy]oxane-3,4-diol.
What is the SMILES notation for 2-(hydroxymethyl)-6-[2-[3-(hydroxymethyl)phenyl]phenoxy]oxane-3,4-diol?
The canonical SMILES for 2-(hydroxymethyl)-6-[2-[3-(hydroxymethyl)phenyl]phenoxy]oxane-3,4-diol is OCc1cccc(-c2ccccc2OC2CC(O)C(O)C(CO)O2)c1.
What is the InChIKey of 2-(hydroxymethyl)-6-[2-[3-(hydroxymethyl)phenyl]phenoxy]oxane-3,4-diol?
The InChIKey is DZAABJPPTSNQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O6/c20-10-12-4-3-5-13(8-12)14-6-1-2-7-16(14)24-18-9-15(22)19(23)17(11-21)25-18/h1-8,15,17-23H,9-11H2.
What are the key properties of 2-(hydroxymethyl)-6-[2-[3-(hydroxymethyl)phenyl]phenoxy]oxane-3,4-diol?
2-(hydroxymethyl)-6-[2-[3-(hydroxymethyl)phenyl]phenoxy]oxane-3,4-diol has a molecular weight of 346.38 g/mol, XLogP of 1.05, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-[2-[3-(hydroxymethyl)phenyl]phenoxy]oxane-3,4-diol is sourced from PubChem (CID 142590214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).