4-[2-[4-hydroxy-3,5-bis(1-methoxypropan-2-yloxymethyl)phenyl]propan-2-yl]-2-(methoxymethyl)-6-(1-methoxypropan-2-yloxymethyl)phenol

C32H50O9 — CID 121336558

IUPAC4-[2-[4-hydroxy-3,5-bis(1-methoxypropan-2-yloxymethyl)phenyl]propan-2-yl]-2-(methoxymethyl)-6-(1-methoxypropan-2-yloxymethyl)phenol
SMILESCOCc1cc(C(C)(C)c2cc(COC(C)COC)c(O)c(COC(C)COC)c2)cc(COC(C)COC)c1O
InChIInChI=1S/C32H50O9/c1-21(14-35-6)39-18-25-11-28(10-24(17-38-9)30(25)33)32(4,5)29-12-26(19-40-22(2)15-36-7)31(34)27(13-29)20-41-23(3)16-37-8/h10-13,21-23,33-34H,14-20H2,1-9H3
InChIKeyDOXGCHPFYHMISQ-UHFFFAOYSA-N
MW578.74 g/mol
LogP5.22
Rot. Bonds19

About 4-[2-[4-hydroxy-3,5-bis(1-methoxypropan-2-yloxymethyl)phenyl]propan-2-yl]-2-(methoxymethyl)-6-(1-methoxypropan-2-yloxymethyl)phenol

4-[2-[4-hydroxy-3,5-bis(1-methoxypropan-2-yloxymethyl)phenyl]propan-2-yl]-2-(methoxymethyl)-6-(1-methoxypropan-2-yloxymethyl)phenol (PubChem CID 121336558) has the molecular formula C32H50O9 and a molecular weight of 578.74 g/mol. Its IUPAC name is 4-[2-[4-hydroxy-3,5-bis(1-methoxypropan-2-yloxymethyl)phenyl]propan-2-yl]-2-(methoxymethyl)-6-(1-methoxypropan-2-yloxymethyl)phenol.

Molecular Properties

Compound Name4-[2-[4-hydroxy-3,5-bis(1-methoxypropan-2-yloxymethyl)phenyl]propan-2-yl]-2-(methoxymethyl)-6-(1-methoxypropan-2-yloxymethyl)phenol
PubChem CID121336558
Molecular FormulaC32H50O9
Molecular Weight578.74 g/mol
Exact Mass578.35
IUPAC Name4-[2-[4-hydroxy-3,5-bis(1-methoxypropan-2-yloxymethyl)phenyl]propan-2-yl]-2-(methoxymethyl)-6-(1-methoxypropan-2-yloxymethyl)phenol
SMILESCOCc1cc(C(C)(C)c2cc(COC(C)COC)c(O)c(COC(C)COC)c2)cc(COC(C)COC)c1O
InChIInChI=1S/C32H50O9/c1-21(14-35-6)39-18-25-11-28(10-24(17-38-9)30(25)33)32(4,5)29-12-26(19-40-22(2)15-36-7)31(34)27(13-29)20-41-23(3)16-37-8/h10-13,21-23,33-34H,14-20H2,1-9H3
InChIKeyDOXGCHPFYHMISQ-UHFFFAOYSA-N
XLogP5.22
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.74
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[2-[4-hydroxy-3,5-bis(1-methoxypropan-2-yloxymethyl)phenyl]propan-2-yl]-2-(methoxymethyl)-6-(1-methoxypropan-2-yloxymethyl)phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-hydroxy-3,5-bis(1-methoxypropan-2-yloxymethyl)phenyl]propan-2-yl]-2-(methoxymethyl)-6-(1-methoxypropan-2-yloxymethyl)phenol?
The IUPAC name of 4-[2-[4-hydroxy-3,5-bis(1-methoxypropan-2-yloxymethyl)phenyl]propan-2-yl]-2-(methoxymethyl)-6-(1-methoxypropan-2-yloxymethyl)phenol (CID 121336558) is 4-[2-[4-hydroxy-3,5-bis(1-methoxypropan-2-yloxymethyl)phenyl]propan-2-yl]-2-(methoxymethyl)-6-(1-methoxypropan-2-yloxymethyl)phenol.
What is the SMILES notation for 4-[2-[4-hydroxy-3,5-bis(1-methoxypropan-2-yloxymethyl)phenyl]propan-2-yl]-2-(methoxymethyl)-6-(1-methoxypropan-2-yloxymethyl)phenol?
The canonical SMILES for 4-[2-[4-hydroxy-3,5-bis(1-methoxypropan-2-yloxymethyl)phenyl]propan-2-yl]-2-(methoxymethyl)-6-(1-methoxypropan-2-yloxymethyl)phenol is COCc1cc(C(C)(C)c2cc(COC(C)COC)c(O)c(COC(C)COC)c2)cc(COC(C)COC)c1O.
What is the InChIKey of 4-[2-[4-hydroxy-3,5-bis(1-methoxypropan-2-yloxymethyl)phenyl]propan-2-yl]-2-(methoxymethyl)-6-(1-methoxypropan-2-yloxymethyl)phenol?
The InChIKey is DOXGCHPFYHMISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50O9/c1-21(14-35-6)39-18-25-11-28(10-24(17-38-9)30(25)33)32(4,5)29-12-26(19-40-22(2)15-36-7)31(34)27(13-29)20-41-23(3)16-37-8/h10-13,21-23,33-34H,14-20H2,1-9H3.
What are the key properties of 4-[2-[4-hydroxy-3,5-bis(1-methoxypropan-2-yloxymethyl)phenyl]propan-2-yl]-2-(methoxymethyl)-6-(1-methoxypropan-2-yloxymethyl)phenol?
4-[2-[4-hydroxy-3,5-bis(1-methoxypropan-2-yloxymethyl)phenyl]propan-2-yl]-2-(methoxymethyl)-6-(1-methoxypropan-2-yloxymethyl)phenol has a molecular weight of 578.74 g/mol, XLogP of 5.22, 19 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-hydroxy-3,5-bis(1-methoxypropan-2-yloxymethyl)phenyl]propan-2-yl]-2-(methoxymethyl)-6-(1-methoxypropan-2-yloxymethyl)phenol is sourced from PubChem (CID 121336558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).