1-(3,5-dibromophenyl)-1-(4-fluorophenyl)ethanol

C14H11Br2FO — CID 19962410

IUPAC1-(3,5-dibromophenyl)-1-(4-fluorophenyl)ethanol
SMILESCC(O)(c1ccc(F)cc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H11Br2FO/c1-14(18,9-2-4-13(17)5-3-9)10-6-11(15)8-12(16)7-10/h2-8,18H,1H3
InChIKeyOFROJJINFZHNHV-UHFFFAOYSA-N
MW374.05 g/mol
LogP4.61
Rot. Bonds2

About 1-(3,5-dibromophenyl)-1-(4-fluorophenyl)ethanol

1-(3,5-dibromophenyl)-1-(4-fluorophenyl)ethanol (PubChem CID 19962410) has the molecular formula C14H11Br2FO and a molecular weight of 374.05 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-1-(4-fluorophenyl)ethanol
PubChem CID19962410
Molecular FormulaC14H11Br2FO
Molecular Weight374.05 g/mol
Exact Mass371.92
IUPAC Name1-(3,5-dibromophenyl)-1-(4-fluorophenyl)ethanol
SMILESCC(O)(c1ccc(F)cc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H11Br2FO/c1-14(18,9-2-4-13(17)5-3-9)10-6-11(15)8-12(16)7-10/h2-8,18H,1H3
InChIKeyOFROJJINFZHNHV-UHFFFAOYSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.05
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-Bromophenyl)(phenyl)methanol
CID 285827
2-(2-Bromophenyl)propan-2-ol
CID 329527
Bis(4-bromophenyl)(phenyl)methanol
CID 4152948
2-(4-Bromophenyl)propan-2-ol
CID 12681920
2-(4-Bromophenyl)pent-4-en-2-ol
CID 11459122
2-(4-Bromophenyl)-1,1,1-trifluoropropan-2-ol
CID 58347290
4-Fluoro-alpha-methyl-alpha-phenylbenZenemethanol
CID 12697054
1,1-Bis(2-bromophenyl)-2,2,2-trifluoroethanol
CID 358622
(4-Bromophenyl)(4-fluorophenyl)methanol
CID 13354004
2-(3-Bromophenyl)propan-2-ol
CID 15072383
1-(3-Bromophenyl)cyclobutan-1-ol
CID 18461571
1-(3-Bromophenyl)cyclopentan-1-ol
CID 18461714

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-1-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(3,5-dibromophenyl)-1-(4-fluorophenyl)ethanol (CID 19962410) is 1-(3,5-dibromophenyl)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(3,5-dibromophenyl)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(3,5-dibromophenyl)-1-(4-fluorophenyl)ethanol is CC(O)(c1ccc(F)cc1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromophenyl)-1-(4-fluorophenyl)ethanol?
The InChIKey is OFROJJINFZHNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2FO/c1-14(18,9-2-4-13(17)5-3-9)10-6-11(15)8-12(16)7-10/h2-8,18H,1H3.
What are the key properties of 1-(3,5-dibromophenyl)-1-(4-fluorophenyl)ethanol?
1-(3,5-dibromophenyl)-1-(4-fluorophenyl)ethanol has a molecular weight of 374.05 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 19962410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).