4-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]-5-(4-hydroxyphenyl)phenyl]phenol

C31H23F2NO2 — CID 134389473

IUPAC4-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]-5-(4-hydroxyphenyl)phenyl]phenol
SMILESOc1ccc(-c2cc(CCc3ccc(-c4ccc(F)cc4F)nc3)cc(-c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C31H23F2NO2/c32-26-8-13-29(30(33)18-26)31-14-3-20(19-34-31)1-2-21-15-24(22-4-9-27(35)10-5-22)17-25(16-21)23-6-11-28(36)12-7-23/h3-19,35-36H,1-2H2
InChIKeyRVJSIUAFAFFLEA-UHFFFAOYSA-N
MW479.53 g/mol
LogP7.56
Rot. Bonds6

About 4-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]-5-(4-hydroxyphenyl)phenyl]phenol

4-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]-5-(4-hydroxyphenyl)phenyl]phenol (PubChem CID 134389473) has the molecular formula C31H23F2NO2 and a molecular weight of 479.53 g/mol. Its IUPAC name is 4-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]-5-(4-hydroxyphenyl)phenyl]phenol.

Molecular Properties

Compound Name4-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]-5-(4-hydroxyphenyl)phenyl]phenol
PubChem CID134389473
Molecular FormulaC31H23F2NO2
Molecular Weight479.53 g/mol
Exact Mass479.17
IUPAC Name4-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]-5-(4-hydroxyphenyl)phenyl]phenol
SMILESOc1ccc(-c2cc(CCc3ccc(-c4ccc(F)cc4F)nc3)cc(-c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C31H23F2NO2/c32-26-8-13-29(30(33)18-26)31-14-3-20(19-34-31)1-2-21-15-24(22-4-9-27(35)10-5-22)17-25(16-21)23-6-11-28(36)12-7-23/h3-19,35-36H,1-2H2
InChIKeyRVJSIUAFAFFLEA-UHFFFAOYSA-N
XLogP7.56
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.53
LogP ≤ 57.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]-5-(4-hydroxyphenyl)phenyl]phenol 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 4-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]-5-(4-hydroxyphenyl)phenyl]phenol?
The IUPAC name of 4-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]-5-(4-hydroxyphenyl)phenyl]phenol (CID 134389473) is 4-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]-5-(4-hydroxyphenyl)phenyl]phenol.
What is the SMILES notation for 4-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]-5-(4-hydroxyphenyl)phenyl]phenol?
The canonical SMILES for 4-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]-5-(4-hydroxyphenyl)phenyl]phenol is Oc1ccc(-c2cc(CCc3ccc(-c4ccc(F)cc4F)nc3)cc(-c3ccc(O)cc3)c2)cc1.
What is the InChIKey of 4-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]-5-(4-hydroxyphenyl)phenyl]phenol?
The InChIKey is RVJSIUAFAFFLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F2NO2/c32-26-8-13-29(30(33)18-26)31-14-3-20(19-34-31)1-2-21-15-24(22-4-9-27(35)10-5-22)17-25(16-21)23-6-11-28(36)12-7-23/h3-19,35-36H,1-2H2.
What are the key properties of 4-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]-5-(4-hydroxyphenyl)phenyl]phenol?
4-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]-5-(4-hydroxyphenyl)phenyl]phenol has a molecular weight of 479.53 g/mol, XLogP of 7.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]-5-(4-hydroxyphenyl)phenyl]phenol is sourced from PubChem (CID 134389473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).