3-[2-(3-hydroxyphenyl)ethyl]-5-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol

C28H26O4 — CID 172871078

IUPAC3-[2-(3-hydroxyphenyl)ethyl]-5-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol
SMILESOc1cccc(CCc2ccc(Oc3cc(O)cc(CCc4cccc(O)c4)c3)cc2)c1
InChIInChI=1S/C28H26O4/c29-24-5-1-3-21(15-24)8-7-20-11-13-27(14-12-20)32-28-18-23(17-26(31)19-28)10-9-22-4-2-6-25(30)16-22/h1-6,11-19,29-31H,7-10H2
InChIKeyPNSMHZCNLQLURO-UHFFFAOYSA-N
MW426.51 g/mol
LogP6.17
Rot. Bonds8

About 3-[2-(3-hydroxyphenyl)ethyl]-5-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol

3-[2-(3-hydroxyphenyl)ethyl]-5-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol (PubChem CID 172871078) has the molecular formula C28H26O4 and a molecular weight of 426.51 g/mol. Its IUPAC name is 3-[2-(3-hydroxyphenyl)ethyl]-5-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol.

Molecular Properties

Compound Name3-[2-(3-hydroxyphenyl)ethyl]-5-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol
PubChem CID172871078
Molecular FormulaC28H26O4
Molecular Weight426.51 g/mol
Exact Mass426.18
IUPAC Name3-[2-(3-hydroxyphenyl)ethyl]-5-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol
SMILESOc1cccc(CCc2ccc(Oc3cc(O)cc(CCc4cccc(O)c4)c3)cc2)c1
InChIInChI=1S/C28H26O4/c29-24-5-1-3-21(15-24)8-7-20-11-13-27(14-12-20)32-28-18-23(17-26(31)19-28)10-9-22-4-2-6-25(30)16-22/h1-6,11-19,29-31H,7-10H2
InChIKeyPNSMHZCNLQLURO-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

3-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-5-[2-(3-hydroxyphenyl)ethyl]benzene-1,2-diol
CID 172871202
4-[2-(3-hydroxyphenyl)ethyl]-2-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol
CID 10646095
5-[2-(4-hydroxyphenyl)ethyl]-2-[3-[2-(3-hydroxyphenyl)ethyl]phenoxy]benzene-1,3-diol
CID 172870724
3-[2-(4-methoxyphenyl)ethyl]phenol
CID 71375357
2-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-5-[2-(4-hydroxyphenyl)ethyl]phenol
CID 172871207
3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 172870683
1,3-dimethoxy-5-[2-[4-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871054
3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol
CID 153483727
1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870937
5-[2-[4-hydroxy-3,5-bis[2-hydroxy-5-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene-1,2,3-triol
CID 172870789
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
3,5-bis[2-(4-methoxyphenyl)ethyl]phenol
CID 172870864

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxyphenyl)ethyl]-5-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol?
The IUPAC name of 3-[2-(3-hydroxyphenyl)ethyl]-5-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol (CID 172871078) is 3-[2-(3-hydroxyphenyl)ethyl]-5-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol.
What is the SMILES notation for 3-[2-(3-hydroxyphenyl)ethyl]-5-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol?
The canonical SMILES for 3-[2-(3-hydroxyphenyl)ethyl]-5-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol is Oc1cccc(CCc2ccc(Oc3cc(O)cc(CCc4cccc(O)c4)c3)cc2)c1.
What is the InChIKey of 3-[2-(3-hydroxyphenyl)ethyl]-5-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol?
The InChIKey is PNSMHZCNLQLURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O4/c29-24-5-1-3-21(15-24)8-7-20-11-13-27(14-12-20)32-28-18-23(17-26(31)19-28)10-9-22-4-2-6-25(30)16-22/h1-6,11-19,29-31H,7-10H2.
What are the key properties of 3-[2-(3-hydroxyphenyl)ethyl]-5-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol?
3-[2-(3-hydroxyphenyl)ethyl]-5-[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 3-[2-(3-hydroxyphenyl)ethyl]-5-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol is sourced from PubChem (CID 172871078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).