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

C28H26O2 — CID 172870683

IUPAC3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
SMILESOc1cccc(CCc2ccc(-c3ccc(CCc4cccc(O)c4)cc3)cc2)c1
InChIInChI=1S/C28H26O2/c29-27-5-1-3-23(19-27)9-7-21-11-15-25(16-12-21)26-17-13-22(14-18-26)8-10-24-4-2-6-28(30)20-24/h1-6,11-20,29-30H,7-10H2
InChIKeyRXMVOJJTYGIWMA-UHFFFAOYSA-N
MW394.51 g/mol
LogP6.34
Rot. Bonds7

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

3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol (PubChem CID 172870683) has the molecular formula C28H26O2 and a molecular weight of 394.51 g/mol. Its IUPAC name is 3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol.

Molecular Properties

Compound Name3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
PubChem CID172870683
Molecular FormulaC28H26O2
Molecular Weight394.51 g/mol
Exact Mass394.19
IUPAC Name3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
SMILESOc1cccc(CCc2ccc(-c3ccc(CCc4cccc(O)c4)cc3)cc2)c1
InChIInChI=1S/C28H26O2/c29-27-5-1-3-23(19-27)9-7-21-11-15-25(16-12-21)26-17-13-22(14-18-26)8-10-24-4-2-6-28(30)20-24/h1-6,11-20,29-30H,7-10H2
InChIKeyRXMVOJJTYGIWMA-UHFFFAOYSA-N
XLogP6.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-methoxyphenyl)ethyl]phenol
CID 71375357
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 171715473
2-[2-(3-hydroxyphenyl)ethyl]phenol
CID 10560581
3-[2-(3-hydroxyphenyl)ethyl]-5-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol
CID 172871078
3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol
CID 23050674
4-[2-(3-hydroxyphenyl)ethyl]-2-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol
CID 10646095
3-(3-hydroxyphenyl)-1-(4-phenylphenyl)propan-1-one
CID 58190197
2-(3-hydroxyphenyl)ethylboronic acid
CID 55255673
3-[4-(aminomethyl)phenyl]phenol
CID 82038924
3-(4-hydroxybutyl)phenol
CID 19991537
3-(3-sulfanylpropyl)phenol
CID 57206434

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol?
The IUPAC name of 3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol (CID 172870683) is 3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol.
What is the SMILES notation for 3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol?
The canonical SMILES for 3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol is Oc1cccc(CCc2ccc(-c3ccc(CCc4cccc(O)c4)cc3)cc2)c1.
What is the InChIKey of 3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol?
The InChIKey is RXMVOJJTYGIWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O2/c29-27-5-1-3-23(19-27)9-7-21-11-15-25(16-12-21)26-17-13-22(14-18-26)8-10-24-4-2-6-28(30)20-24/h1-6,11-20,29-30H,7-10H2.
What are the key properties of 3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol?
3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol has a molecular weight of 394.51 g/mol, XLogP of 6.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol is sourced from PubChem (CID 172870683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).