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

C14H11BrClFO — CID 63016944

IUPAC1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1)c1ccc(F)cc1Br
InChIInChI=1S/C14H11BrClFO/c15-13-8-11(17)5-6-12(13)14(18)7-9-1-3-10(16)4-2-9/h1-6,8,14,18H,7H2
InChIKeyOWOAOCUSVPOJGC-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.52
Rot. Bonds3

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

1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol (PubChem CID 63016944) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
PubChem CID63016944
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1)c1ccc(F)cc1Br
InChIInChI=1S/C14H11BrClFO/c15-13-8-11(17)5-6-12(13)14(18)7-9-1-3-10(16)4-2-9/h1-6,8,14,18H,7H2
InChIKeyOWOAOCUSVPOJGC-UHFFFAOYSA-N
XLogP4.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.60
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 115788296
2-bromo-1-[1-bromo-2-(4-chlorophenyl)ethyl]-4-fluorobenzene
CID 63542273
1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
CID 115786608
1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol
CID 107947257
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethanol
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1-(2-bromo-3,4-difluorophenyl)-2-(4-chlorophenyl)ethanol
CID 107538431
2-(2-bromo-4-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 65150787
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 61100110
1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103039131
1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol
CID 55150652
1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377660
[1-(2-bromo-4-chlorophenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 107996645

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol (CID 63016944) is 1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol is OC(Cc1ccc(Cl)cc1)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol?
The InChIKey is OWOAOCUSVPOJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c15-13-8-11(17)5-6-12(13)14(18)7-9-1-3-10(16)4-2-9/h1-6,8,14,18H,7H2.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol?
1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol has a molecular weight of 329.60 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol is sourced from PubChem (CID 63016944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).