2-[2-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-4-[2-(4-hydroxyphenyl)ethyl]phenol

C28H26O5 — CID 172870512

IUPAC2-[2-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-4-[2-(4-hydroxyphenyl)ethyl]phenol
SMILESOc1ccc(CCc2ccc(O)c(Oc3cc(CCc4ccc(O)cc4)ccc3O)c2)cc1
InChIInChI=1S/C28H26O5/c29-23-11-5-19(6-12-23)1-3-21-9-15-25(31)27(17-21)33-28-18-22(10-16-26(28)32)4-2-20-7-13-24(30)14-8-20/h5-18,29-32H,1-4H2
InChIKeyBOVPXJRBVUQZCB-UHFFFAOYSA-N
MW442.51 g/mol
LogP5.87
Rot. Bonds8

About 2-[2-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-4-[2-(4-hydroxyphenyl)ethyl]phenol

2-[2-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-4-[2-(4-hydroxyphenyl)ethyl]phenol (PubChem CID 172870512) has the molecular formula C28H26O5 and a molecular weight of 442.51 g/mol. Its IUPAC name is 2-[2-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-4-[2-(4-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2-[2-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-4-[2-(4-hydroxyphenyl)ethyl]phenol
PubChem CID172870512
Molecular FormulaC28H26O5
Molecular Weight442.51 g/mol
Exact Mass442.18
IUPAC Name2-[2-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-4-[2-(4-hydroxyphenyl)ethyl]phenol
SMILESOc1ccc(CCc2ccc(O)c(Oc3cc(CCc4ccc(O)cc4)ccc3O)c2)cc1
InChIInChI=1S/C28H26O5/c29-23-11-5-19(6-12-23)1-3-21-9-15-25(31)27(17-21)33-28-18-22(10-16-26(28)32)4-2-20-7-13-24(30)14-8-20/h5-18,29-32H,1-4H2
InChIKeyBOVPXJRBVUQZCB-UHFFFAOYSA-N
XLogP5.87
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.51
LogP ≤ 55.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[2-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-4-[2-(4-hydroxyphenyl)ethyl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-(3-hydroxyphenyl)ethyl]-2-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol
CID 10646095
4-ethyl-2-(5-ethyl-2-hydroxyphenoxy)phenol
CID 18691745
5-[2-[4-hydroxy-3,5-bis[2-hydroxy-5-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene-1,2,3-triol
CID 172870789
2-[2-(4-hydroxyphenyl)ethyl]benzene-1,3,5-triol
CID 163472366
4-[2-hydroxy-4-[2-(4-hydroxyphenyl)ethyl]phenoxy]-6-[2-(3-hydroxyphenyl)ethyl]benzene-1,3-diol
CID 172871317
2-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-5-[2-(4-hydroxyphenyl)ethyl]phenol
CID 172871207
4-[2-(4-hydroxyphenyl)ethyl]-2-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]phenol
CID 172870463
7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one
CID 45276919
3-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-5-[2-(3-hydroxyphenyl)ethyl]benzene-1,2-diol
CID 172871202
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 171715473
4-[9-(3,4-dimethoxyphenyl)nonyl]phenol
CID 10736998
3-[5-(2-aminoethyl)-2-hydroxyphenoxy]-5-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
CID 129036058

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-4-[2-(4-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 2-[2-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-4-[2-(4-hydroxyphenyl)ethyl]phenol (CID 172870512) is 2-[2-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-4-[2-(4-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 2-[2-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-4-[2-(4-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 2-[2-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-4-[2-(4-hydroxyphenyl)ethyl]phenol is Oc1ccc(CCc2ccc(O)c(Oc3cc(CCc4ccc(O)cc4)ccc3O)c2)cc1.
What is the InChIKey of 2-[2-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-4-[2-(4-hydroxyphenyl)ethyl]phenol?
The InChIKey is BOVPXJRBVUQZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O5/c29-23-11-5-19(6-12-23)1-3-21-9-15-25(31)27(17-21)33-28-18-22(10-16-26(28)32)4-2-20-7-13-24(30)14-8-20/h5-18,29-32H,1-4H2.
What are the key properties of 2-[2-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-4-[2-(4-hydroxyphenyl)ethyl]phenol?
2-[2-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-4-[2-(4-hydroxyphenyl)ethyl]phenol has a molecular weight of 442.51 g/mol, XLogP of 5.87, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-4-[2-(4-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 172870512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).