3-bromo-2-(4-chloro-2-fluorophenyl)-5-phenylphenol

C18H11BrClFO — CID 162532817

IUPAC3-bromo-2-(4-chloro-2-fluorophenyl)-5-phenylphenol
SMILESOc1cc(-c2ccccc2)cc(Br)c1-c1ccc(Cl)cc1F
InChIInChI=1S/C18H11BrClFO/c19-15-8-12(11-4-2-1-3-5-11)9-17(22)18(15)14-7-6-13(20)10-16(14)21/h1-10,22H
InChIKeyTTXKOPSKFYRFBZ-UHFFFAOYSA-N
MW377.64 g/mol
LogP6.28
Rot. Bonds2

About 3-bromo-2-(4-chloro-2-fluorophenyl)-5-phenylphenol

3-bromo-2-(4-chloro-2-fluorophenyl)-5-phenylphenol (PubChem CID 162532817) has the molecular formula C18H11BrClFO and a molecular weight of 377.64 g/mol. Its IUPAC name is 3-bromo-2-(4-chloro-2-fluorophenyl)-5-phenylphenol.

Molecular Properties

Compound Name3-bromo-2-(4-chloro-2-fluorophenyl)-5-phenylphenol
PubChem CID162532817
Molecular FormulaC18H11BrClFO
Molecular Weight377.64 g/mol
Exact Mass375.97
IUPAC Name3-bromo-2-(4-chloro-2-fluorophenyl)-5-phenylphenol
SMILESOc1cc(-c2ccccc2)cc(Br)c1-c1ccc(Cl)cc1F
InChIInChI=1S/C18H11BrClFO/c19-15-8-12(11-4-2-1-3-5-11)9-17(22)18(15)14-7-6-13(20)10-16(14)21/h1-10,22H
InChIKeyTTXKOPSKFYRFBZ-UHFFFAOYSA-N
XLogP6.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.64
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4-chloro-2-fluorophenyl)-5-phenylphenol?
The IUPAC name of 3-bromo-2-(4-chloro-2-fluorophenyl)-5-phenylphenol (CID 162532817) is 3-bromo-2-(4-chloro-2-fluorophenyl)-5-phenylphenol.
What is the SMILES notation for 3-bromo-2-(4-chloro-2-fluorophenyl)-5-phenylphenol?
The canonical SMILES for 3-bromo-2-(4-chloro-2-fluorophenyl)-5-phenylphenol is Oc1cc(-c2ccccc2)cc(Br)c1-c1ccc(Cl)cc1F.
What is the InChIKey of 3-bromo-2-(4-chloro-2-fluorophenyl)-5-phenylphenol?
The InChIKey is TTXKOPSKFYRFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrClFO/c19-15-8-12(11-4-2-1-3-5-11)9-17(22)18(15)14-7-6-13(20)10-16(14)21/h1-10,22H.
What are the key properties of 3-bromo-2-(4-chloro-2-fluorophenyl)-5-phenylphenol?
3-bromo-2-(4-chloro-2-fluorophenyl)-5-phenylphenol has a molecular weight of 377.64 g/mol, XLogP of 6.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(4-chloro-2-fluorophenyl)-5-phenylphenol is sourced from PubChem (CID 162532817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).