2-[3-(4-chloro-2-fluorophenyl)-4-fluorophenyl]ethanol

C14H11ClF2O — CID 170453876

IUPAC2-[3-(4-chloro-2-fluorophenyl)-4-fluorophenyl]ethanol
SMILESOCCc1ccc(F)c(-c2ccc(Cl)cc2F)c1
InChIInChI=1S/C14H11ClF2O/c15-10-2-3-11(14(17)8-10)12-7-9(5-6-18)1-4-13(12)16/h1-4,7-8,18H,5-6H2
InChIKeyXSMGJFUOZDZGGH-UHFFFAOYSA-N
MW268.69 g/mol
LogP3.82
Rot. Bonds3

About 2-[3-(4-chloro-2-fluorophenyl)-4-fluorophenyl]ethanol

2-[3-(4-chloro-2-fluorophenyl)-4-fluorophenyl]ethanol (PubChem CID 170453876) has the molecular formula C14H11ClF2O and a molecular weight of 268.69 g/mol. Its IUPAC name is 2-[3-(4-chloro-2-fluorophenyl)-4-fluorophenyl]ethanol.

Molecular Properties

Compound Name2-[3-(4-chloro-2-fluorophenyl)-4-fluorophenyl]ethanol
PubChem CID170453876
Molecular FormulaC14H11ClF2O
Molecular Weight268.69 g/mol
Exact Mass268.05
IUPAC Name2-[3-(4-chloro-2-fluorophenyl)-4-fluorophenyl]ethanol
SMILESOCCc1ccc(F)c(-c2ccc(Cl)cc2F)c1
InChIInChI=1S/C14H11ClF2O/c15-10-2-3-11(14(17)8-10)12-7-9(5-6-18)1-4-13(12)16/h1-4,7-8,18H,5-6H2
InChIKeyXSMGJFUOZDZGGH-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(2,3-difluorophenyl)-4-fluorophenyl]ethanol
CID 170453866
4-chloro-2-(4-chloro-2-fluorophenyl)phenol
CID 83130792
2-[4-(2-fluoro-4-propylphenyl)phenyl]ethanol
CID 134432733
[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine
CID 61271772
4-(4-chloro-2-fluorophenyl)phenol
CID 83128689
2-fluoro-5-(2-hydroxyethyl)benzoic acid
CID 2774487
2-fluoro-5-(2-hydroxyethyl)benzonitrile
CID 83390737
2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine
CID 115046585
2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
CID 71236598
4-chloro-2-fluoro-1-phenylbenzene
CID 18364130
3-(4-chloro-2-fluorophenyl)propan-1-ol
CID 53425229
2-(4-fluoro-3-nitrophenyl)ethanol
CID 11252405

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chloro-2-fluorophenyl)-4-fluorophenyl]ethanol?
The IUPAC name of 2-[3-(4-chloro-2-fluorophenyl)-4-fluorophenyl]ethanol (CID 170453876) is 2-[3-(4-chloro-2-fluorophenyl)-4-fluorophenyl]ethanol.
What is the SMILES notation for 2-[3-(4-chloro-2-fluorophenyl)-4-fluorophenyl]ethanol?
The canonical SMILES for 2-[3-(4-chloro-2-fluorophenyl)-4-fluorophenyl]ethanol is OCCc1ccc(F)c(-c2ccc(Cl)cc2F)c1.
What is the InChIKey of 2-[3-(4-chloro-2-fluorophenyl)-4-fluorophenyl]ethanol?
The InChIKey is XSMGJFUOZDZGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O/c15-10-2-3-11(14(17)8-10)12-7-9(5-6-18)1-4-13(12)16/h1-4,7-8,18H,5-6H2.
What are the key properties of 2-[3-(4-chloro-2-fluorophenyl)-4-fluorophenyl]ethanol?
2-[3-(4-chloro-2-fluorophenyl)-4-fluorophenyl]ethanol has a molecular weight of 268.69 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chloro-2-fluorophenyl)-4-fluorophenyl]ethanol is sourced from PubChem (CID 170453876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).