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

C14H10Cl3FO — CID 115839677

IUPAC2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl3FO/c15-9-3-4-12(17)11(6-9)14(19)5-8-1-2-10(16)7-13(8)18/h1-4,6-7,14,19H,5H2
InChIKeyRDWVZHAIZCRUMP-UHFFFAOYSA-N
MW319.59 g/mol
LogP5.06
Rot. Bonds3

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

2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol (PubChem CID 115839677) has the molecular formula C14H10Cl3FO and a molecular weight of 319.59 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
PubChem CID115839677
Molecular FormulaC14H10Cl3FO
Molecular Weight319.59 g/mol
Exact Mass317.98
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl3FO/c15-9-3-4-12(17)11(6-9)14(19)5-8-1-2-10(16)7-13(8)18/h1-4,6-7,14,19H,5H2
InChIKeyRDWVZHAIZCRUMP-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

1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)ethanol
CID 61082200
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 114852109
2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115784831
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114852756
1-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol
CID 63411090
2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol
CID 115839731
2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 102617223
1-(2-chloro-6-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114851983
2-(4-chloro-2-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115839825
2-amino-1-(2,5-dichlorophenyl)ethanol
CID 18628108
1-(4-bromo-3-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 115839745
[1-(2,5-dichlorophenyl)-2-(2,4-difluorophenyl)ethyl]hydrazine
CID 105223140

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol (CID 115839677) is 2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol is OC(Cc1ccc(Cl)cc1F)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol?
The InChIKey is RDWVZHAIZCRUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3FO/c15-9-3-4-12(17)11(6-9)14(19)5-8-1-2-10(16)7-13(8)18/h1-4,6-7,14,19H,5H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol?
2-(4-chloro-2-fluorophenyl)-1-(2,5-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-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol is sourced from PubChem (CID 115839677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).