5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(3-pyridin-2-ylprop-2-ynoxy)phenyl]-3,6-dimethoxyphenol

C28H23NO6 — CID 23539233

IUPAC5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(3-pyridin-2-ylprop-2-ynoxy)phenyl]-3,6-dimethoxyphenol
SMILESCOc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCC#Cc2ccccn2)c(O)c1
InChIInChI=1S/C28H23NO6/c1-33-25-17-22(18-8-11-21(30)12-9-18)28(34-2)27(32)26(25)19-10-13-24(23(31)16-19)35-15-5-7-20-6-3-4-14-29-20/h3-4,6,8-14,16-17,30-32H,15H2,1-2H3
InChIKeyBLFBRDJBIBSCPR-UHFFFAOYSA-N
MW469.49 g/mol
LogP4.98
Rot. Bonds6

About 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(3-pyridin-2-ylprop-2-ynoxy)phenyl]-3,6-dimethoxyphenol

5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(3-pyridin-2-ylprop-2-ynoxy)phenyl]-3,6-dimethoxyphenol (PubChem CID 23539233) has the molecular formula C28H23NO6 and a molecular weight of 469.49 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(3-pyridin-2-ylprop-2-ynoxy)phenyl]-3,6-dimethoxyphenol.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(3-pyridin-2-ylprop-2-ynoxy)phenyl]-3,6-dimethoxyphenol
PubChem CID23539233
Molecular FormulaC28H23NO6
Molecular Weight469.49 g/mol
Exact Mass469.15
IUPAC Name5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(3-pyridin-2-ylprop-2-ynoxy)phenyl]-3,6-dimethoxyphenol
SMILESCOc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCC#Cc2ccccn2)c(O)c1
InChIInChI=1S/C28H23NO6/c1-33-25-17-22(18-8-11-21(30)12-9-18)28(34-2)27(32)26(25)19-10-13-24(23(31)16-19)35-15-5-7-20-6-3-4-14-29-20/h3-4,6,8-14,16-17,30-32H,15H2,1-2H3
InChIKeyBLFBRDJBIBSCPR-UHFFFAOYSA-N
XLogP4.98
TPSA101.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(3-pyridin-2-ylprop-2-ynoxy)phenyl]-3,6-dimethoxyphenol 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 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(3-pyridin-2-ylprop-2-ynoxy)phenyl]-3,6-dimethoxyphenol?
The IUPAC name of 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(3-pyridin-2-ylprop-2-ynoxy)phenyl]-3,6-dimethoxyphenol (CID 23539233) is 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(3-pyridin-2-ylprop-2-ynoxy)phenyl]-3,6-dimethoxyphenol.
What is the SMILES notation for 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(3-pyridin-2-ylprop-2-ynoxy)phenyl]-3,6-dimethoxyphenol?
The canonical SMILES for 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(3-pyridin-2-ylprop-2-ynoxy)phenyl]-3,6-dimethoxyphenol is COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCC#Cc2ccccn2)c(O)c1.
What is the InChIKey of 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(3-pyridin-2-ylprop-2-ynoxy)phenyl]-3,6-dimethoxyphenol?
The InChIKey is BLFBRDJBIBSCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO6/c1-33-25-17-22(18-8-11-21(30)12-9-18)28(34-2)27(32)26(25)19-10-13-24(23(31)16-19)35-15-5-7-20-6-3-4-14-29-20/h3-4,6,8-14,16-17,30-32H,15H2,1-2H3.
What are the key properties of 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(3-pyridin-2-ylprop-2-ynoxy)phenyl]-3,6-dimethoxyphenol?
5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(3-pyridin-2-ylprop-2-ynoxy)phenyl]-3,6-dimethoxyphenol has a molecular weight of 469.49 g/mol, XLogP of 4.98, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(3-pyridin-2-ylprop-2-ynoxy)phenyl]-3,6-dimethoxyphenol is sourced from PubChem (CID 23539233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).