1,1-bis(4-chlorophenyl)-2-(4-fluorophenoxy)ethanol

C20H15Cl2FO2 — CID 2728620

IUPAC1,1-bis(4-chlorophenyl)-2-(4-fluorophenoxy)ethanol
SMILESOC(COc1ccc(F)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2FO2/c21-16-5-1-14(2-6-16)20(24,15-3-7-17(22)8-4-15)13-25-19-11-9-18(23)10-12-19/h1-12,24H,13H2
InChIKeyHUGIUMYAEHKODD-UHFFFAOYSA-N
MW377.24 g/mol
LogP5.45
Rot. Bonds5

About 1,1-bis(4-chlorophenyl)-2-(4-fluorophenoxy)ethanol

1,1-bis(4-chlorophenyl)-2-(4-fluorophenoxy)ethanol (PubChem CID 2728620) has the molecular formula C20H15Cl2FO2 and a molecular weight of 377.24 g/mol. Its IUPAC name is 1,1-bis(4-chlorophenyl)-2-(4-fluorophenoxy)ethanol.

Molecular Properties

Compound Name1,1-bis(4-chlorophenyl)-2-(4-fluorophenoxy)ethanol
PubChem CID2728620
Molecular FormulaC20H15Cl2FO2
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name1,1-bis(4-chlorophenyl)-2-(4-fluorophenoxy)ethanol
SMILESOC(COc1ccc(F)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2FO2/c21-16-5-1-14(2-6-16)20(24,15-3-7-17(22)8-4-15)13-25-19-11-9-18(23)10-12-19/h1-12,24H,13H2
InChIKeyHUGIUMYAEHKODD-UHFFFAOYSA-N
XLogP5.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.24
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-chlorophenyl)-2-(4-fluorophenoxy)ethanol?
The IUPAC name of 1,1-bis(4-chlorophenyl)-2-(4-fluorophenoxy)ethanol (CID 2728620) is 1,1-bis(4-chlorophenyl)-2-(4-fluorophenoxy)ethanol.
What is the SMILES notation for 1,1-bis(4-chlorophenyl)-2-(4-fluorophenoxy)ethanol?
The canonical SMILES for 1,1-bis(4-chlorophenyl)-2-(4-fluorophenoxy)ethanol is OC(COc1ccc(F)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1,1-bis(4-chlorophenyl)-2-(4-fluorophenoxy)ethanol?
The InChIKey is HUGIUMYAEHKODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FO2/c21-16-5-1-14(2-6-16)20(24,15-3-7-17(22)8-4-15)13-25-19-11-9-18(23)10-12-19/h1-12,24H,13H2.
What are the key properties of 1,1-bis(4-chlorophenyl)-2-(4-fluorophenoxy)ethanol?
1,1-bis(4-chlorophenyl)-2-(4-fluorophenoxy)ethanol has a molecular weight of 377.24 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-chlorophenyl)-2-(4-fluorophenoxy)ethanol is sourced from PubChem (CID 2728620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).