[4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol

C13H9Br2FO2 — CID 83234633

IUPAC[4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol
SMILESOCc1ccc(Br)cc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C13H9Br2FO2/c14-9-2-1-8(7-17)13(5-9)18-10-3-4-12(16)11(15)6-10/h1-6,17H,7H2
InChIKeyLRFMFPWTEXSPFC-UHFFFAOYSA-N
MW376.02 g/mol
LogP4.64
Rot. Bonds3

About [4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol

[4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol (PubChem CID 83234633) has the molecular formula C13H9Br2FO2 and a molecular weight of 376.02 g/mol. Its IUPAC name is [4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol
PubChem CID83234633
Molecular FormulaC13H9Br2FO2
Molecular Weight376.02 g/mol
Exact Mass373.90
IUPAC Name[4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol
SMILESOCc1ccc(Br)cc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C13H9Br2FO2/c14-9-2-1-8(7-17)13(5-9)18-10-3-4-12(16)11(15)6-10/h1-6,17H,7H2
InChIKeyLRFMFPWTEXSPFC-UHFFFAOYSA-N
XLogP4.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.02
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83235131
4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid
CID 83234465
[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanol
CID 63539756
[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol
CID 43174103
[2-(3-bromo-4-fluorophenoxy)-3-fluorophenyl]methanol
CID 114067647
4-bromo-1-(bromomethyl)-2-(4-fluoro-3-methylphenoxy)benzene
CID 107088968
[4-bromo-2-(4-propoxyphenoxy)phenyl]methanol
CID 43174104
4-bromo-1-(chloromethyl)-2-(4-chlorophenoxy)benzene
CID 43174130
[2-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]methanol
CID 114060424
2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 63880236
[2-bromo-4-(4-chlorophenoxy)phenyl]methanol
CID 66738685
4-bromo-1-(bromomethyl)-2-(3-fluoro-4-methylphenoxy)benzene
CID 107169735

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol?
The IUPAC name of [4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol (CID 83234633) is [4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol.
What is the SMILES notation for [4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol?
The canonical SMILES for [4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol is OCc1ccc(Br)cc1Oc1ccc(F)c(Br)c1.
What is the InChIKey of [4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol?
The InChIKey is LRFMFPWTEXSPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2FO2/c14-9-2-1-8(7-17)13(5-9)18-10-3-4-12(16)11(15)6-10/h1-6,17H,7H2.
What are the key properties of [4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol?
[4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol has a molecular weight of 376.02 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol is sourced from PubChem (CID 83234633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).