1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol

C14H11Br2FO — CID 107947257

IUPAC1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H11Br2FO/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
InChIKeyBLLXBJKNUXBLTQ-UHFFFAOYSA-N
MW374.05 g/mol
LogP4.63
Rot. Bonds3

About 1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol

1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol (PubChem CID 107947257) has the molecular formula C14H11Br2FO and a molecular weight of 374.05 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol
PubChem CID107947257
Molecular FormulaC14H11Br2FO
Molecular Weight374.05 g/mol
Exact Mass371.92
IUPAC Name1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H11Br2FO/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
InChIKeyBLLXBJKNUXBLTQ-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.05
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol
CID 55150652
2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene
CID 114020716
[1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 107948008
1-(2,4-dibromophenyl)-2-(2,4-difluorophenyl)ethanol
CID 107947331
1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016944
2-(2-chloro-5-fluorophenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947895
1-(2-bromo-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 115788296
1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
CID 115786608
1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol
CID 81473232
1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 61087578
1-(6-bromonaphthalen-2-yl)-2-(4-fluorophenyl)ethanol
CID 115354460
1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 115779284

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol (CID 107947257) is 1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol is OC(Cc1ccc(F)cc1)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol?
The InChIKey is BLLXBJKNUXBLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2FO/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-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol?
1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol has a molecular weight of 374.05 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 107947257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).