(2R,3R,4S,6R)-2-[2-(3-hydroxy-4-methylphenyl)ethoxy]-6-methyloxane-3,4-diol

C15H22O5 — CID 118438499

IUPAC(2R,3R,4S,6R)-2-[2-(3-hydroxy-4-methylphenyl)ethoxy]-6-methyloxane-3,4-diol
SMILESCc1ccc(CCO[C@@H]2O[C@H](C)C[C@H](O)[C@H]2O)cc1O
InChIInChI=1S/C15H22O5/c1-9-3-4-11(8-12(9)16)5-6-19-15-14(18)13(17)7-10(2)20-15/h3-4,8,10,13-18H,5-7H2,1-2H3/t10-,13+,14-,15-/m1/s1
InChIKeyKEKVESNRXXPHOH-AQNFWKISSA-N
MW282.34 g/mol
LogP1.12
Rot. Bonds4

About (2R,3R,4S,6R)-2-[2-(3-hydroxy-4-methylphenyl)ethoxy]-6-methyloxane-3,4-diol

(2R,3R,4S,6R)-2-[2-(3-hydroxy-4-methylphenyl)ethoxy]-6-methyloxane-3,4-diol (PubChem CID 118438499) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2R,3R,4S,6R)-2-[2-(3-hydroxy-4-methylphenyl)ethoxy]-6-methyloxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,6R)-2-[2-(3-hydroxy-4-methylphenyl)ethoxy]-6-methyloxane-3,4-diol
PubChem CID118438499
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name(2R,3R,4S,6R)-2-[2-(3-hydroxy-4-methylphenyl)ethoxy]-6-methyloxane-3,4-diol
SMILESCc1ccc(CCO[C@@H]2O[C@H](C)C[C@H](O)[C@H]2O)cc1O
InChIInChI=1S/C15H22O5/c1-9-3-4-11(8-12(9)16)5-6-19-15-14(18)13(17)7-10(2)20-15/h3-4,8,10,13-18H,5-7H2,1-2H3/t10-,13+,14-,15-/m1/s1
InChIKeyKEKVESNRXXPHOH-AQNFWKISSA-N
XLogP1.12
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,6R)-2-[2-(3-hydroxy-4-methylphenyl)ethoxy]-6-methyloxane-3,4-diol?
The IUPAC name of (2R,3R,4S,6R)-2-[2-(3-hydroxy-4-methylphenyl)ethoxy]-6-methyloxane-3,4-diol (CID 118438499) is (2R,3R,4S,6R)-2-[2-(3-hydroxy-4-methylphenyl)ethoxy]-6-methyloxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,6R)-2-[2-(3-hydroxy-4-methylphenyl)ethoxy]-6-methyloxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,6R)-2-[2-(3-hydroxy-4-methylphenyl)ethoxy]-6-methyloxane-3,4-diol is Cc1ccc(CCO[C@@H]2O[C@H](C)C[C@H](O)[C@H]2O)cc1O.
What is the InChIKey of (2R,3R,4S,6R)-2-[2-(3-hydroxy-4-methylphenyl)ethoxy]-6-methyloxane-3,4-diol?
The InChIKey is KEKVESNRXXPHOH-AQNFWKISSA-N. The full InChI is InChI=1S/C15H22O5/c1-9-3-4-11(8-12(9)16)5-6-19-15-14(18)13(17)7-10(2)20-15/h3-4,8,10,13-18H,5-7H2,1-2H3/t10-,13+,14-,15-/m1/s1.
What are the key properties of (2R,3R,4S,6R)-2-[2-(3-hydroxy-4-methylphenyl)ethoxy]-6-methyloxane-3,4-diol?
(2R,3R,4S,6R)-2-[2-(3-hydroxy-4-methylphenyl)ethoxy]-6-methyloxane-3,4-diol has a molecular weight of 282.34 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,6R)-2-[2-(3-hydroxy-4-methylphenyl)ethoxy]-6-methyloxane-3,4-diol is sourced from PubChem (CID 118438499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).