4-[[4-[2,2,4,4-tetrafluoro-5-[4-[(4-hydroxyphenyl)methyl]phenoxy]pentoxy]phenyl]methyl]phenol

C31H28F4O4 — CID 58288779

IUPAC4-[[4-[2,2,4,4-tetrafluoro-5-[4-[(4-hydroxyphenyl)methyl]phenoxy]pentoxy]phenyl]methyl]phenol
SMILESOc1ccc(Cc2ccc(OCC(F)(F)CC(F)(F)COc3ccc(Cc4ccc(O)cc4)cc3)cc2)cc1
InChIInChI=1S/C31H28F4O4/c32-30(33,20-38-28-13-5-24(6-14-28)17-22-1-9-26(36)10-2-22)19-31(34,35)21-39-29-15-7-25(8-16-29)18-23-3-11-27(37)12-4-23/h1-16,36-37H,17-21H2
InChIKeyNRFDOUVJVWXFDY-UHFFFAOYSA-N
MW540.55 g/mol
LogP7.40
Rot. Bonds12

About 4-[[4-[2,2,4,4-tetrafluoro-5-[4-[(4-hydroxyphenyl)methyl]phenoxy]pentoxy]phenyl]methyl]phenol

4-[[4-[2,2,4,4-tetrafluoro-5-[4-[(4-hydroxyphenyl)methyl]phenoxy]pentoxy]phenyl]methyl]phenol (PubChem CID 58288779) has the molecular formula C31H28F4O4 and a molecular weight of 540.55 g/mol. Its IUPAC name is 4-[[4-[2,2,4,4-tetrafluoro-5-[4-[(4-hydroxyphenyl)methyl]phenoxy]pentoxy]phenyl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-[2,2,4,4-tetrafluoro-5-[4-[(4-hydroxyphenyl)methyl]phenoxy]pentoxy]phenyl]methyl]phenol
PubChem CID58288779
Molecular FormulaC31H28F4O4
Molecular Weight540.55 g/mol
Exact Mass540.19
IUPAC Name4-[[4-[2,2,4,4-tetrafluoro-5-[4-[(4-hydroxyphenyl)methyl]phenoxy]pentoxy]phenyl]methyl]phenol
SMILESOc1ccc(Cc2ccc(OCC(F)(F)CC(F)(F)COc3ccc(Cc4ccc(O)cc4)cc3)cc2)cc1
InChIInChI=1S/C31H28F4O4/c32-30(33,20-38-28-13-5-24(6-14-28)17-22-1-9-26(36)10-2-22)19-31(34,35)21-39-29-15-7-25(8-16-29)18-23-3-11-27(37)12-4-23/h1-16,36-37H,17-21H2
InChIKeyNRFDOUVJVWXFDY-UHFFFAOYSA-N
XLogP7.40
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.55
LogP ≤ 57.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[4-[2,2,4,4-tetrafluoro-5-[4-[(4-hydroxyphenyl)methyl]phenoxy]pentoxy]phenyl]methyl]phenol with MolForge

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Related Compounds

2,2-difluoro-3-[4-[(4-propoxyphenyl)methyl]phenoxy]propan-1-ol
CID 147880525
2,2-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-1-ol;tungsten
CID 160711520
4-[[4-(sulfanylmethoxy)phenyl]methyl]phenol
CID 89039452
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
4-[(4-prop-2-enoxyphenyl)methyl]phenol
CID 68636078
4-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)phenyl]phenol
CID 54382893
4-[(4-aminooxyphenyl)methyl]phenol
CID 122683282
4-[[4-(2,2,2-trifluoroethoxy)phenyl]diazenyl]phenol
CID 136880814
4-(2,2,3,4,4,4-hexafluorobutoxy)phenol
CID 112758210
4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol
CID 20685429
phenol;2,2,2-trifluoroethoxybenzene
CID 174967121
4-[[4-(4-hydroxyphenyl)phenyl]methyl]phenol
CID 58720488

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2,2,4,4-tetrafluoro-5-[4-[(4-hydroxyphenyl)methyl]phenoxy]pentoxy]phenyl]methyl]phenol?
The IUPAC name of 4-[[4-[2,2,4,4-tetrafluoro-5-[4-[(4-hydroxyphenyl)methyl]phenoxy]pentoxy]phenyl]methyl]phenol (CID 58288779) is 4-[[4-[2,2,4,4-tetrafluoro-5-[4-[(4-hydroxyphenyl)methyl]phenoxy]pentoxy]phenyl]methyl]phenol.
What is the SMILES notation for 4-[[4-[2,2,4,4-tetrafluoro-5-[4-[(4-hydroxyphenyl)methyl]phenoxy]pentoxy]phenyl]methyl]phenol?
The canonical SMILES for 4-[[4-[2,2,4,4-tetrafluoro-5-[4-[(4-hydroxyphenyl)methyl]phenoxy]pentoxy]phenyl]methyl]phenol is Oc1ccc(Cc2ccc(OCC(F)(F)CC(F)(F)COc3ccc(Cc4ccc(O)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-[2,2,4,4-tetrafluoro-5-[4-[(4-hydroxyphenyl)methyl]phenoxy]pentoxy]phenyl]methyl]phenol?
The InChIKey is NRFDOUVJVWXFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F4O4/c32-30(33,20-38-28-13-5-24(6-14-28)17-22-1-9-26(36)10-2-22)19-31(34,35)21-39-29-15-7-25(8-16-29)18-23-3-11-27(37)12-4-23/h1-16,36-37H,17-21H2.
What are the key properties of 4-[[4-[2,2,4,4-tetrafluoro-5-[4-[(4-hydroxyphenyl)methyl]phenoxy]pentoxy]phenyl]methyl]phenol?
4-[[4-[2,2,4,4-tetrafluoro-5-[4-[(4-hydroxyphenyl)methyl]phenoxy]pentoxy]phenyl]methyl]phenol has a molecular weight of 540.55 g/mol, XLogP of 7.40, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2,2,4,4-tetrafluoro-5-[4-[(4-hydroxyphenyl)methyl]phenoxy]pentoxy]phenyl]methyl]phenol is sourced from PubChem (CID 58288779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).