4-[1-(4-fluorophenyl)-1-(4-hydroxyphenyl)propyl]phenol

C21H19FO2 — CID 59267008

IUPAC4-[1-(4-fluorophenyl)-1-(4-hydroxyphenyl)propyl]phenol
SMILESCCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H19FO2/c1-2-21(15-3-9-18(22)10-4-15,16-5-11-19(23)12-6-16)17-7-13-20(24)14-8-17/h3-14,23-24H,2H2,1H3
InChIKeyYZLCVYQIKNYNDC-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.98
Rot. Bonds4

About 4-[1-(4-fluorophenyl)-1-(4-hydroxyphenyl)propyl]phenol

4-[1-(4-fluorophenyl)-1-(4-hydroxyphenyl)propyl]phenol (PubChem CID 59267008) has the molecular formula C21H19FO2 and a molecular weight of 322.38 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)-1-(4-hydroxyphenyl)propyl]phenol.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)-1-(4-hydroxyphenyl)propyl]phenol
PubChem CID59267008
Molecular FormulaC21H19FO2
Molecular Weight322.38 g/mol
Exact Mass322.14
IUPAC Name4-[1-(4-fluorophenyl)-1-(4-hydroxyphenyl)propyl]phenol
SMILESCCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H19FO2/c1-2-21(15-3-9-18(22)10-4-15,16-5-11-19(23)12-6-16)17-7-13-20(24)14-8-17/h3-14,23-24H,2H2,1H3
InChIKeyYZLCVYQIKNYNDC-UHFFFAOYSA-N
XLogP4.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)-1-(4-hydroxyphenyl)propyl]phenol?
The IUPAC name of 4-[1-(4-fluorophenyl)-1-(4-hydroxyphenyl)propyl]phenol (CID 59267008) is 4-[1-(4-fluorophenyl)-1-(4-hydroxyphenyl)propyl]phenol.
What is the SMILES notation for 4-[1-(4-fluorophenyl)-1-(4-hydroxyphenyl)propyl]phenol?
The canonical SMILES for 4-[1-(4-fluorophenyl)-1-(4-hydroxyphenyl)propyl]phenol is CCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-[1-(4-fluorophenyl)-1-(4-hydroxyphenyl)propyl]phenol?
The InChIKey is YZLCVYQIKNYNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FO2/c1-2-21(15-3-9-18(22)10-4-15,16-5-11-19(23)12-6-16)17-7-13-20(24)14-8-17/h3-14,23-24H,2H2,1H3.
What are the key properties of 4-[1-(4-fluorophenyl)-1-(4-hydroxyphenyl)propyl]phenol?
4-[1-(4-fluorophenyl)-1-(4-hydroxyphenyl)propyl]phenol has a molecular weight of 322.38 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)-1-(4-hydroxyphenyl)propyl]phenol is sourced from PubChem (CID 59267008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).