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

C14H11BrClFO — CID 55150652

IUPAC1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H11BrClFO/c15-10-3-6-12(13(16)8-10)14(18)7-9-1-4-11(17)5-2-9/h1-6,8,14,18H,7H2
InChIKeyCWXIZJPSQRDPDP-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.52
Rot. Bonds3

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

1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol (PubChem CID 55150652) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol
PubChem CID55150652
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H11BrClFO/c15-10-3-6-12(13(16)8-10)14(18)7-9-1-4-11(17)5-2-9/h1-6,8,14,18H,7H2
InChIKeyCWXIZJPSQRDPDP-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-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol
CID 107947257
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114852756
2-(4-tert-butylphenyl)-1-(2-chloro-4-fluorophenyl)ethanol
CID 63411155
N-[1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 63528786
1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016944
1-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)ethanol
CID 63017689
1-(5-bromo-2-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894369
2-(2-chloro-5-fluorophenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947895
(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanol
CID 61087730
1-(6-bromonaphthalen-2-yl)-2-(4-fluorophenyl)ethanol
CID 115354460
1-(5-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanol
CID 115787558
2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene
CID 114020716

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol (CID 55150652) is 1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol is OC(Cc1ccc(F)cc1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol?
The InChIKey is CWXIZJPSQRDPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c15-10-3-6-12(13(16)8-10)14(18)7-9-1-4-11(17)5-2-9/h1-6,8,14,18H,7H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol?
1-(4-bromo-2-chlorophenyl)-2-(4-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-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 55150652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).