1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanol

C14H11BrClFO — CID 113336988

IUPAC1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanol
SMILESOC(Cc1ccccc1F)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H11BrClFO/c15-11-7-10(5-6-12(11)16)14(18)8-9-3-1-2-4-13(9)17/h1-7,14,18H,8H2
InChIKeyKRXSLTUQKAFOJI-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.52
Rot. Bonds3

About 1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanol

1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanol (PubChem CID 113336988) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanol
PubChem CID113336988
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanol
SMILESOC(Cc1ccccc1F)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H11BrClFO/c15-11-7-10(5-6-12(11)16)14(18)8-9-3-1-2-4-13(9)17/h1-7,14,18H,8H2
InChIKeyKRXSLTUQKAFOJI-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

2-(2-bromophenyl)-1-(4-chloro-3-fluorophenyl)ethanol
CID 63895535
1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115566546
1-(4-bromo-3-fluorophenyl)-2-(2-chlorophenyl)ethanol
CID 55151202
1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 61100130
1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82919458
1-(3-bromo-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanol
CID 65148052
1-(4-bromo-3-chlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103053459
1-(3,4-dichlorophenyl)-2-(2,3-difluorophenyl)ethanol
CID 65151174
1-(4-bromo-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102856976
1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)ethanol
CID 61082200
1-(3-fluoro-4-methylphenyl)-2-(2-fluorophenyl)ethanol
CID 60798295
1-(4-bromo-3-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 115839745

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanol?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanol (CID 113336988) is 1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanol is OC(Cc1ccccc1F)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanol?
The InChIKey is KRXSLTUQKAFOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c15-11-7-10(5-6-12(11)16)14(18)8-9-3-1-2-4-13(9)17/h1-7,14,18H,8H2.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanol?
1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)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-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanol is sourced from PubChem (CID 113336988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).