1-(2-chlorophenyl)-1-(4-chlorophenyl)-2-(4-fluorophenyl)ethanol

C20H15Cl2FO — CID 134836235

IUPAC1-(2-chlorophenyl)-1-(4-chlorophenyl)-2-(4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1)(c1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C20H15Cl2FO/c21-16-9-7-15(8-10-16)20(24,18-3-1-2-4-19(18)22)13-14-5-11-17(23)12-6-14/h1-12,24H,13H2
InChIKeyOVPHNWDOHCNAEL-UHFFFAOYSA-N
MW361.24 g/mol
LogP5.61
Rot. Bonds4

About 1-(2-chlorophenyl)-1-(4-chlorophenyl)-2-(4-fluorophenyl)ethanol

1-(2-chlorophenyl)-1-(4-chlorophenyl)-2-(4-fluorophenyl)ethanol (PubChem CID 134836235) has the molecular formula C20H15Cl2FO and a molecular weight of 361.24 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(4-chlorophenyl)-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(4-chlorophenyl)-2-(4-fluorophenyl)ethanol
PubChem CID134836235
Molecular FormulaC20H15Cl2FO
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name1-(2-chlorophenyl)-1-(4-chlorophenyl)-2-(4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1)(c1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C20H15Cl2FO/c21-16-9-7-15(8-10-16)20(24,18-3-1-2-4-19(18)22)13-14-5-11-17(23)12-6-14/h1-12,24H,13H2
InChIKeyOVPHNWDOHCNAEL-UHFFFAOYSA-N
XLogP5.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.24
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(4-chlorophenyl)-2-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(2-chlorophenyl)-1-(4-chlorophenyl)-2-(4-fluorophenyl)ethanol (CID 134836235) is 1-(2-chlorophenyl)-1-(4-chlorophenyl)-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(4-chlorophenyl)-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-1-(4-chlorophenyl)-2-(4-fluorophenyl)ethanol is OC(Cc1ccc(F)cc1)(c1ccc(Cl)cc1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-(4-chlorophenyl)-2-(4-fluorophenyl)ethanol?
The InChIKey is OVPHNWDOHCNAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FO/c21-16-9-7-15(8-10-16)20(24,18-3-1-2-4-19(18)22)13-14-5-11-17(23)12-6-14/h1-12,24H,13H2.
What are the key properties of 1-(2-chlorophenyl)-1-(4-chlorophenyl)-2-(4-fluorophenyl)ethanol?
1-(2-chlorophenyl)-1-(4-chlorophenyl)-2-(4-fluorophenyl)ethanol has a molecular weight of 361.24 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(4-chlorophenyl)-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 134836235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).