2-(2-chloro-6-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol

C15H13ClF2O — CID 62388239

IUPAC2-(2-chloro-6-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1C(O)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H13ClF2O/c1-9-5-6-10(17)7-11(9)15(19)8-12-13(16)3-2-4-14(12)18/h2-7,15,19H,8H2,1H3
InChIKeyZXBXXFJLXWUVDY-UHFFFAOYSA-N
MW282.72 g/mol
LogP4.20
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol

2-(2-chloro-6-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol (PubChem CID 62388239) has the molecular formula C15H13ClF2O and a molecular weight of 282.72 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
PubChem CID62388239
Molecular FormulaC15H13ClF2O
Molecular Weight282.72 g/mol
Exact Mass282.06
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1C(O)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H13ClF2O/c1-9-5-6-10(17)7-11(9)15(19)8-12-13(16)3-2-4-14(12)18/h2-7,15,19H,8H2,1H3
InChIKeyZXBXXFJLXWUVDY-UHFFFAOYSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol (CID 62388239) is 2-(2-chloro-6-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol is Cc1ccc(F)cc1C(O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol?
The InChIKey is ZXBXXFJLXWUVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O/c1-9-5-6-10(17)7-11(9)15(19)8-12-13(16)3-2-4-14(12)18/h2-7,15,19H,8H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol?
2-(2-chloro-6-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol has a molecular weight of 282.72 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 62388239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).