4-[1-(4-hydroxy-3,5-dimethoxyphenyl)propyl]-2-[[2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-6-(hydroxymethyl)phenol

C26H30O7 — CID 126543315

IUPAC4-[1-(4-hydroxy-3,5-dimethoxyphenyl)propyl]-2-[[2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-6-(hydroxymethyl)phenol
SMILESCCC(c1cc(CO)c(O)c(Cc2cccc(CO)c2O)c1)c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C26H30O7/c1-4-21(18-11-22(32-2)26(31)23(12-18)33-3)17-9-19(25(30)20(10-17)14-28)8-15-6-5-7-16(13-27)24(15)29/h5-7,9-12,21,27-31H,4,8,13-14H2,1-3H3
InChIKeyNPACYQZOXFDDFH-UHFFFAOYSA-N
MW454.52 g/mol
LogP3.94
Rot. Bonds9

About 4-[1-(4-hydroxy-3,5-dimethoxyphenyl)propyl]-2-[[2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-6-(hydroxymethyl)phenol

4-[1-(4-hydroxy-3,5-dimethoxyphenyl)propyl]-2-[[2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-6-(hydroxymethyl)phenol (PubChem CID 126543315) has the molecular formula C26H30O7 and a molecular weight of 454.52 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3,5-dimethoxyphenyl)propyl]-2-[[2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-6-(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3,5-dimethoxyphenyl)propyl]-2-[[2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-6-(hydroxymethyl)phenol
PubChem CID126543315
Molecular FormulaC26H30O7
Molecular Weight454.52 g/mol
Exact Mass454.20
IUPAC Name4-[1-(4-hydroxy-3,5-dimethoxyphenyl)propyl]-2-[[2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-6-(hydroxymethyl)phenol
SMILESCCC(c1cc(CO)c(O)c(Cc2cccc(CO)c2O)c1)c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C26H30O7/c1-4-21(18-11-22(32-2)26(31)23(12-18)33-3)17-9-19(25(30)20(10-17)14-28)8-15-6-5-7-16(13-27)24(15)29/h5-7,9-12,21,27-31H,4,8,13-14H2,1-3H3
InChIKeyNPACYQZOXFDDFH-UHFFFAOYSA-N
XLogP3.94
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 53.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 4-[1-(4-hydroxy-3,5-dimethoxyphenyl)propyl]-2-[[2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-6-(hydroxymethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3,5-dimethoxyphenyl)propyl]-2-[[2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-6-(hydroxymethyl)phenol?
The IUPAC name of 4-[1-(4-hydroxy-3,5-dimethoxyphenyl)propyl]-2-[[2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-6-(hydroxymethyl)phenol (CID 126543315) is 4-[1-(4-hydroxy-3,5-dimethoxyphenyl)propyl]-2-[[2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-6-(hydroxymethyl)phenol.
What is the SMILES notation for 4-[1-(4-hydroxy-3,5-dimethoxyphenyl)propyl]-2-[[2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-6-(hydroxymethyl)phenol?
The canonical SMILES for 4-[1-(4-hydroxy-3,5-dimethoxyphenyl)propyl]-2-[[2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-6-(hydroxymethyl)phenol is CCC(c1cc(CO)c(O)c(Cc2cccc(CO)c2O)c1)c1cc(OC)c(O)c(OC)c1.
What is the InChIKey of 4-[1-(4-hydroxy-3,5-dimethoxyphenyl)propyl]-2-[[2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-6-(hydroxymethyl)phenol?
The InChIKey is NPACYQZOXFDDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O7/c1-4-21(18-11-22(32-2)26(31)23(12-18)33-3)17-9-19(25(30)20(10-17)14-28)8-15-6-5-7-16(13-27)24(15)29/h5-7,9-12,21,27-31H,4,8,13-14H2,1-3H3.
What are the key properties of 4-[1-(4-hydroxy-3,5-dimethoxyphenyl)propyl]-2-[[2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-6-(hydroxymethyl)phenol?
4-[1-(4-hydroxy-3,5-dimethoxyphenyl)propyl]-2-[[2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-6-(hydroxymethyl)phenol has a molecular weight of 454.52 g/mol, XLogP of 3.94, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-3,5-dimethoxyphenyl)propyl]-2-[[2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-6-(hydroxymethyl)phenol is sourced from PubChem (CID 126543315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).