2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol

C14H20O5 — CID 561077

IUPAC2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol
SMILESCOC1OC(C)C(OCc2ccccc2)C(O)C1O
InChIInChI=1S/C14H20O5/c1-9-13(11(15)12(16)14(17-2)19-9)18-8-10-6-4-3-5-7-10/h3-7,9,11-16H,8H2,1-2H3
InChIKeyUKHJYNJLXQXFTI-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.68
Rot. Bonds4

About 2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol

2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol (PubChem CID 561077) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol.

Molecular Properties

Compound Name2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol
PubChem CID561077
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol
SMILESCOC1OC(C)C(OCc2ccccc2)C(O)C1O
InChIInChI=1S/C14H20O5/c1-9-13(11(15)12(16)14(17-2)19-9)18-8-10-6-4-3-5-7-10/h3-7,9,11-16H,8H2,1-2H3
InChIKeyUKHJYNJLXQXFTI-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol?
The IUPAC name of 2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol (CID 561077) is 2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol.
What is the SMILES notation for 2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol?
The canonical SMILES for 2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol is COC1OC(C)C(OCc2ccccc2)C(O)C1O.
What is the InChIKey of 2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol?
The InChIKey is UKHJYNJLXQXFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-9-13(11(15)12(16)14(17-2)19-9)18-8-10-6-4-3-5-7-10/h3-7,9,11-16H,8H2,1-2H3.
What are the key properties of 2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol?
2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol has a molecular weight of 268.31 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol is sourced from PubChem (CID 561077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).