(4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol

C14H20O5 — CID 122398669

IUPAC(4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol
SMILESCOc1ccc(CO[C@H]2[C@@H](O)CC(O)O[C@@H]2C)cc1
InChIInChI=1S/C14H20O5/c1-9-14(12(15)7-13(16)19-9)18-8-10-3-5-11(17-2)6-4-10/h3-6,9,12-16H,7-8H2,1-2H3/t9-,12+,13?,14-/m1/s1
InChIKeyUZXHJGWHUMPEBM-ARKHKUHZSA-N
MW268.31 g/mol
LogP1.07
Rot. Bonds4

About (4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol

(4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol (PubChem CID 122398669) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is (4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol.

Molecular Properties

Compound Name(4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol
PubChem CID122398669
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name(4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol
SMILESCOc1ccc(CO[C@H]2[C@@H](O)CC(O)O[C@@H]2C)cc1
InChIInChI=1S/C14H20O5/c1-9-14(12(15)7-13(16)19-9)18-8-10-3-5-11(17-2)6-4-10/h3-6,9,12-16H,7-8H2,1-2H3/t9-,12+,13?,14-/m1/s1
InChIKeyUZXHJGWHUMPEBM-ARKHKUHZSA-N
XLogP1.07
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R,5S,6S)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol
CID 11762365
(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol
CID 171124705
(2R,4R,5R,6R)-5-[(2S,4R,5R,6R)-5-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-methyloxan-2-yl]oxy-6-methyl-4-phenylmethoxyoxan-2-ol
CID 171126123
(2R,3R,4S,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-methyl-2,4-bis(phenylmethoxy)oxan-3-ol
CID 102237778
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427
(4S,5S)-5-[(4-methoxyphenyl)methoxymethyl]oxolane-2,4-diol
CID 171123464
8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol
CID 11842161
(2S,3R,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]-5-methyloxolane
CID 59994424
(2R,3S,4R,6S)-2-methyl-3,6-bis(phenylmethoxy)oxan-4-ol
CID 14466621
(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol
CID 126612131
(1S,2S,4R,5R)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene
CID 44596491
(2R,3S,4S,6R)-6-[(2R,3R,4R,6S)-6-[[(3aR,4R,6S,7S,7aR)-4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-3-[(4-methoxyphenyl)methoxy]-2-methyloxan-4-yl]oxy-3-[(4-methoxyphenyl)methoxy]-2-methyloxan-4-ol
CID 122398675

Frequently Asked Questions

What is the IUPAC name of (4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol?
The IUPAC name of (4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol (CID 122398669) is (4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol.
What is the SMILES notation for (4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol?
The canonical SMILES for (4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol is COc1ccc(CO[C@H]2[C@@H](O)CC(O)O[C@@H]2C)cc1.
What is the InChIKey of (4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol?
The InChIKey is UZXHJGWHUMPEBM-ARKHKUHZSA-N. The full InChI is InChI=1S/C14H20O5/c1-9-14(12(15)7-13(16)19-9)18-8-10-3-5-11(17-2)6-4-10/h3-6,9,12-16H,7-8H2,1-2H3/t9-,12+,13?,14-/m1/s1.
What are the key properties of (4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol?
(4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol has a molecular weight of 268.31 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol is sourced from PubChem (CID 122398669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).