4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]-2-fluorophenol

C29H27FO3 — CID 90348566

IUPAC4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]-2-fluorophenol
SMILESCC(C)(c1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1)c1ccc(O)c(F)c1
InChIInChI=1S/C29H27FO3/c1-28(2,23-12-17-27(33)26(30)18-23)19-4-6-20(7-5-19)29(3,21-8-13-24(31)14-9-21)22-10-15-25(32)16-11-22/h4-18,31-33H,1-3H3
InChIKeyPTKYWTQHRVBSLC-UHFFFAOYSA-N
MW442.53 g/mol
LogP6.62
Rot. Bonds5

About 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]-2-fluorophenol

4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]-2-fluorophenol (PubChem CID 90348566) has the molecular formula C29H27FO3 and a molecular weight of 442.53 g/mol. Its IUPAC name is 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]-2-fluorophenol.

Molecular Properties

Compound Name4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]-2-fluorophenol
PubChem CID90348566
Molecular FormulaC29H27FO3
Molecular Weight442.53 g/mol
Exact Mass442.19
IUPAC Name4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]-2-fluorophenol
SMILESCC(C)(c1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1)c1ccc(O)c(F)c1
InChIInChI=1S/C29H27FO3/c1-28(2,23-12-17-27(33)26(30)18-23)19-4-6-20(7-5-19)29(3,21-8-13-24(31)14-9-21)22-10-15-25(32)16-11-22/h4-18,31-33H,1-3H3
InChIKeyPTKYWTQHRVBSLC-UHFFFAOYSA-N
XLogP6.62
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.53
LogP ≤ 56.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
CID 634278
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;ethane
CID 91392325
4-[1-(4-hydroxy-3-methylphenyl)-1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]ethyl]-2-methylphenol
CID 22392546
4-tert-butyl-2-fluorophenol
CID 11062790
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 130296994
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-methylphenol
CID 14389009
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 160883594
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-propan-2-ylphenol
CID 18943218
benzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 159326359
disodium bisphenol-A
CID 66941220
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]-2-fluorophenol?
The IUPAC name of 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]-2-fluorophenol (CID 90348566) is 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]-2-fluorophenol.
What is the SMILES notation for 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]-2-fluorophenol?
The canonical SMILES for 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]-2-fluorophenol is CC(C)(c1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1)c1ccc(O)c(F)c1.
What is the InChIKey of 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]-2-fluorophenol?
The InChIKey is PTKYWTQHRVBSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FO3/c1-28(2,23-12-17-27(33)26(30)18-23)19-4-6-20(7-5-19)29(3,21-8-13-24(31)14-9-21)22-10-15-25(32)16-11-22/h4-18,31-33H,1-3H3.
What are the key properties of 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]-2-fluorophenol?
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]-2-fluorophenol has a molecular weight of 442.53 g/mol, XLogP of 6.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]-2-fluorophenol is sourced from PubChem (CID 90348566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).