(4-bromophenyl)-(4-fluorophenyl)methanol

C13H10BrFO — CID 13354004

IUPAC(4-bromophenyl)-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C13H10BrFO/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H
InChIKeyQARMUHMNUCVWDD-UHFFFAOYSA-N
MW281.12 g/mol
LogP3.67
Rot. Bonds2

About (4-bromophenyl)-(4-fluorophenyl)methanol

(4-bromophenyl)-(4-fluorophenyl)methanol (PubChem CID 13354004) has the molecular formula C13H10BrFO and a molecular weight of 281.12 g/mol. Its IUPAC name is (4-bromophenyl)-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(4-bromophenyl)-(4-fluorophenyl)methanol
PubChem CID13354004
Molecular FormulaC13H10BrFO
Molecular Weight281.12 g/mol
Exact Mass279.99
IUPAC Name(4-bromophenyl)-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C13H10BrFO/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H
InChIKeyQARMUHMNUCVWDD-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(4-fluorophenyl)methanol?
The IUPAC name of (4-bromophenyl)-(4-fluorophenyl)methanol (CID 13354004) is (4-bromophenyl)-(4-fluorophenyl)methanol.
What is the SMILES notation for (4-bromophenyl)-(4-fluorophenyl)methanol?
The canonical SMILES for (4-bromophenyl)-(4-fluorophenyl)methanol is OC(c1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-(4-fluorophenyl)methanol?
The InChIKey is QARMUHMNUCVWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFO/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H.
What are the key properties of (4-bromophenyl)-(4-fluorophenyl)methanol?
(4-bromophenyl)-(4-fluorophenyl)methanol has a molecular weight of 281.12 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(4-fluorophenyl)methanol is sourced from PubChem (CID 13354004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).