2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol

C14H10Cl3FO — CID 102617223

IUPAC2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
SMILESOC(Cc1cc(F)ccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl3FO/c15-9-1-3-11(13(17)7-9)14(19)6-8-5-10(18)2-4-12(8)16/h1-5,7,14,19H,6H2
InChIKeyKWJKSDFSRULIBO-UHFFFAOYSA-N
MW319.59 g/mol
LogP5.06
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol

2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol (PubChem CID 102617223) has the molecular formula C14H10Cl3FO and a molecular weight of 319.59 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
PubChem CID102617223
Molecular FormulaC14H10Cl3FO
Molecular Weight319.59 g/mol
Exact Mass317.98
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
SMILESOC(Cc1cc(F)ccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl3FO/c15-9-1-3-11(13(17)7-9)14(19)6-8-5-10(18)2-4-12(8)16/h1-5,7,14,19H,6H2
InChIKeyKWJKSDFSRULIBO-UHFFFAOYSA-N
XLogP5.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.59
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 65150935
2-(2-bromo-4-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 65150787
1-(2-bromo-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115802037
1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 82685676
1-(2-chlorophenyl)-2-(2,5-difluorophenyl)ethanol
CID 62099435
2-(2-chloro-5-fluorophenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947895
2-(2-chloro-5-fluorophenyl)-1-naphthalen-1-ylethanol
CID 102617231
2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115839677
2-(2,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607142
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 114852109
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 102622560
1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)ethanol
CID 61082200

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol (CID 102617223) is 2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol is OC(Cc1cc(F)ccc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol?
The InChIKey is KWJKSDFSRULIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3FO/c15-9-1-3-11(13(17)7-9)14(19)6-8-5-10(18)2-4-12(8)16/h1-5,7,14,19H,6H2.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol?
2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol has a molecular weight of 319.59 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol is sourced from PubChem (CID 102617223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).