4-[2-(3-hydroxyphenyl)ethyl]-2-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol

C28H26O4 — CID 10646095

IUPAC4-[2-(3-hydroxyphenyl)ethyl]-2-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol
SMILESOc1cccc(CCc2ccc(Oc3cc(CCc4cccc(O)c4)ccc3O)cc2)c1
InChIInChI=1S/C28H26O4/c29-24-5-1-3-21(17-24)8-7-20-11-14-26(15-12-20)32-28-19-23(13-16-27(28)31)10-9-22-4-2-6-25(30)18-22/h1-6,11-19,29-31H,7-10H2
InChIKeyOCZHVLYTYFWOAX-UHFFFAOYSA-N
MW426.51 g/mol
LogP6.17
Rot. Bonds8

About 4-[2-(3-hydroxyphenyl)ethyl]-2-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol

4-[2-(3-hydroxyphenyl)ethyl]-2-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol (PubChem CID 10646095) has the molecular formula C28H26O4 and a molecular weight of 426.51 g/mol. Its IUPAC name is 4-[2-(3-hydroxyphenyl)ethyl]-2-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol.

Molecular Properties

Compound Name4-[2-(3-hydroxyphenyl)ethyl]-2-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol
PubChem CID10646095
Molecular FormulaC28H26O4
Molecular Weight426.51 g/mol
Exact Mass426.18
IUPAC Name4-[2-(3-hydroxyphenyl)ethyl]-2-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol
SMILESOc1cccc(CCc2ccc(Oc3cc(CCc4cccc(O)c4)ccc3O)cc2)c1
InChIInChI=1S/C28H26O4/c29-24-5-1-3-21(17-24)8-7-20-11-14-26(15-12-20)32-28-19-23(13-16-27(28)31)10-9-22-4-2-6-25(30)18-22/h1-6,11-19,29-31H,7-10H2
InChIKeyOCZHVLYTYFWOAX-UHFFFAOYSA-N
XLogP6.17
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.51
LogP ≤ 56.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[4-hydroxy-3,5-bis[2-hydroxy-5-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene-1,2,3-triol
CID 172870789
3-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-5-[2-(3-hydroxyphenyl)ethyl]benzene-1,2-diol
CID 172871202
3-[2-(3-hydroxyphenyl)ethyl]-5-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol
CID 172871078
2-[2-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-4-[2-(4-hydroxyphenyl)ethyl]phenol
CID 172870512
3-[2-(4-methoxyphenyl)ethyl]phenol
CID 71375357
3-[2-[4-hydroxy-3-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene-1,2-diol
CID 163036372
5-[2-(4-hydroxyphenyl)ethyl]-2-[3-[2-(3-hydroxyphenyl)ethyl]phenoxy]benzene-1,3-diol
CID 172870724
4-[2-hydroxy-4-[2-(4-hydroxyphenyl)ethyl]phenoxy]-6-[2-(3-hydroxyphenyl)ethyl]benzene-1,3-diol
CID 172871317
4-[3-[2,4-dihydroxy-5-[2-(3-hydroxyphenyl)ethyl]phenoxy]-5-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxyphenoxy]-6-[2-(3-hydroxyphenyl)ethyl]benzene-1,3-diol
CID 175639711
3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 172870683
2-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-5-[2-(4-hydroxyphenyl)ethyl]phenol
CID 172871207
2-[2-(3-hydroxyphenyl)ethyl]phenol
CID 10560581

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxyphenyl)ethyl]-2-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol?
The IUPAC name of 4-[2-(3-hydroxyphenyl)ethyl]-2-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol (CID 10646095) is 4-[2-(3-hydroxyphenyl)ethyl]-2-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol.
What is the SMILES notation for 4-[2-(3-hydroxyphenyl)ethyl]-2-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol?
The canonical SMILES for 4-[2-(3-hydroxyphenyl)ethyl]-2-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol is Oc1cccc(CCc2ccc(Oc3cc(CCc4cccc(O)c4)ccc3O)cc2)c1.
What is the InChIKey of 4-[2-(3-hydroxyphenyl)ethyl]-2-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol?
The InChIKey is OCZHVLYTYFWOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O4/c29-24-5-1-3-21(17-24)8-7-20-11-14-26(15-12-20)32-28-19-23(13-16-27(28)31)10-9-22-4-2-6-25(30)18-22/h1-6,11-19,29-31H,7-10H2.
What are the key properties of 4-[2-(3-hydroxyphenyl)ethyl]-2-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol?
4-[2-(3-hydroxyphenyl)ethyl]-2-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol has a molecular weight of 426.51 g/mol, XLogP of 6.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxyphenyl)ethyl]-2-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol is sourced from PubChem (CID 10646095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).