[6-methoxy-3,4,5-tris[(4-methoxyphenyl)methoxy]oxan-2-yl]methanol

C31H38O9 — CID 67177417

IUPAC[6-methoxy-3,4,5-tris[(4-methoxyphenyl)methoxy]oxan-2-yl]methanol
SMILESCOc1ccc(COC2C(CO)OC(OC)C(OCc3ccc(OC)cc3)C2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C31H38O9/c1-33-24-11-5-21(6-12-24)18-37-28-27(17-32)40-31(36-4)30(39-20-23-9-15-26(35-3)16-10-23)29(28)38-19-22-7-13-25(34-2)14-8-22/h5-16,27-32H,17-20H2,1-4H3
InChIKeySXRAMPOIZZIYLG-UHFFFAOYSA-N
MW554.64 g/mol
LogP4.13
Rot. Bonds14

About [6-methoxy-3,4,5-tris[(4-methoxyphenyl)methoxy]oxan-2-yl]methanol

[6-methoxy-3,4,5-tris[(4-methoxyphenyl)methoxy]oxan-2-yl]methanol (PubChem CID 67177417) has the molecular formula C31H38O9 and a molecular weight of 554.64 g/mol. Its IUPAC name is [6-methoxy-3,4,5-tris[(4-methoxyphenyl)methoxy]oxan-2-yl]methanol.

Molecular Properties

Compound Name[6-methoxy-3,4,5-tris[(4-methoxyphenyl)methoxy]oxan-2-yl]methanol
PubChem CID67177417
Molecular FormulaC31H38O9
Molecular Weight554.64 g/mol
Exact Mass554.25
IUPAC Name[6-methoxy-3,4,5-tris[(4-methoxyphenyl)methoxy]oxan-2-yl]methanol
SMILESCOc1ccc(COC2C(CO)OC(OC)C(OCc3ccc(OC)cc3)C2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C31H38O9/c1-33-24-11-5-21(6-12-24)18-37-28-27(17-32)40-31(36-4)30(39-20-23-9-15-26(35-3)16-10-23)29(28)38-19-22-7-13-25(34-2)14-8-22/h5-16,27-32H,17-20H2,1-4H3
InChIKeySXRAMPOIZZIYLG-UHFFFAOYSA-N
XLogP4.13
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.64
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [6-methoxy-3,4,5-tris[(4-methoxyphenyl)methoxy]oxan-2-yl]methanol?
The IUPAC name of [6-methoxy-3,4,5-tris[(4-methoxyphenyl)methoxy]oxan-2-yl]methanol (CID 67177417) is [6-methoxy-3,4,5-tris[(4-methoxyphenyl)methoxy]oxan-2-yl]methanol.
What is the SMILES notation for [6-methoxy-3,4,5-tris[(4-methoxyphenyl)methoxy]oxan-2-yl]methanol?
The canonical SMILES for [6-methoxy-3,4,5-tris[(4-methoxyphenyl)methoxy]oxan-2-yl]methanol is COc1ccc(COC2C(CO)OC(OC)C(OCc3ccc(OC)cc3)C2OCc2ccc(OC)cc2)cc1.
What is the InChIKey of [6-methoxy-3,4,5-tris[(4-methoxyphenyl)methoxy]oxan-2-yl]methanol?
The InChIKey is SXRAMPOIZZIYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38O9/c1-33-24-11-5-21(6-12-24)18-37-28-27(17-32)40-31(36-4)30(39-20-23-9-15-26(35-3)16-10-23)29(28)38-19-22-7-13-25(34-2)14-8-22/h5-16,27-32H,17-20H2,1-4H3.
What are the key properties of [6-methoxy-3,4,5-tris[(4-methoxyphenyl)methoxy]oxan-2-yl]methanol?
[6-methoxy-3,4,5-tris[(4-methoxyphenyl)methoxy]oxan-2-yl]methanol has a molecular weight of 554.64 g/mol, XLogP of 4.13, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-3,4,5-tris[(4-methoxyphenyl)methoxy]oxan-2-yl]methanol is sourced from PubChem (CID 67177417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).