2-(2-bromophenyl)-1-(4-chloro-3-fluorophenyl)ethanol

C14H11BrClFO — CID 63895535

IUPAC2-(2-bromophenyl)-1-(4-chloro-3-fluorophenyl)ethanol
SMILESOC(Cc1ccccc1Br)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11BrClFO/c15-11-4-2-1-3-9(11)8-14(18)10-5-6-12(16)13(17)7-10/h1-7,14,18H,8H2
InChIKeyZUJJCYZJYCUKLV-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.52
Rot. Bonds3

About 2-(2-bromophenyl)-1-(4-chloro-3-fluorophenyl)ethanol

2-(2-bromophenyl)-1-(4-chloro-3-fluorophenyl)ethanol (PubChem CID 63895535) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(4-chloro-3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(4-chloro-3-fluorophenyl)ethanol
PubChem CID63895535
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name2-(2-bromophenyl)-1-(4-chloro-3-fluorophenyl)ethanol
SMILESOC(Cc1ccccc1Br)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11BrClFO/c15-11-4-2-1-3-9(11)8-14(18)10-5-6-12(16)13(17)7-10/h1-7,14,18H,8H2
InChIKeyZUJJCYZJYCUKLV-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-(4-bromo-3-fluorophenyl)-2-(2-chlorophenyl)ethanol
CID 55151202
1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanol
CID 113336988
1-(4-bromo-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102856976
2-(2-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanol
CID 65026534
1-(4-bromo-3-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 81447982
(1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol
CID 97286939
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-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115566546
1-(4-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883490
(1S)-1-(4-chloro-3-fluorophenyl)propane-1,3-diol
CID 86696659
1-(4-bromo-3-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 115839745

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(4-chloro-3-fluorophenyl)ethanol?
The IUPAC name of 2-(2-bromophenyl)-1-(4-chloro-3-fluorophenyl)ethanol (CID 63895535) is 2-(2-bromophenyl)-1-(4-chloro-3-fluorophenyl)ethanol.
What is the SMILES notation for 2-(2-bromophenyl)-1-(4-chloro-3-fluorophenyl)ethanol?
The canonical SMILES for 2-(2-bromophenyl)-1-(4-chloro-3-fluorophenyl)ethanol is OC(Cc1ccccc1Br)c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(2-bromophenyl)-1-(4-chloro-3-fluorophenyl)ethanol?
The InChIKey is ZUJJCYZJYCUKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c15-11-4-2-1-3-9(11)8-14(18)10-5-6-12(16)13(17)7-10/h1-7,14,18H,8H2.
What are the key properties of 2-(2-bromophenyl)-1-(4-chloro-3-fluorophenyl)ethanol?
2-(2-bromophenyl)-1-(4-chloro-3-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 2-(2-bromophenyl)-1-(4-chloro-3-fluorophenyl)ethanol is sourced from PubChem (CID 63895535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).