[4-(4-bromophenoxy)-3-fluorophenyl]methanol

C13H10BrFO2 — CID 28946073

IUPAC[4-(4-bromophenoxy)-3-fluorophenyl]methanol
SMILESOCc1ccc(Oc2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C13H10BrFO2/c14-10-2-4-11(5-3-10)17-13-6-1-9(8-16)7-12(13)15/h1-7,16H,8H2
InChIKeyHUUCJMFWXQVGOK-UHFFFAOYSA-N
MW297.12 g/mol
LogP3.87
Rot. Bonds3

About [4-(4-bromophenoxy)-3-fluorophenyl]methanol

[4-(4-bromophenoxy)-3-fluorophenyl]methanol (PubChem CID 28946073) has the molecular formula C13H10BrFO2 and a molecular weight of 297.12 g/mol. Its IUPAC name is [4-(4-bromophenoxy)-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(4-bromophenoxy)-3-fluorophenyl]methanol
PubChem CID28946073
Molecular FormulaC13H10BrFO2
Molecular Weight297.12 g/mol
Exact Mass295.98
IUPAC Name[4-(4-bromophenoxy)-3-fluorophenyl]methanol
SMILESOCc1ccc(Oc2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C13H10BrFO2/c14-10-2-4-11(5-3-10)17-13-6-1-9(8-16)7-12(13)15/h1-7,16H,8H2
InChIKeyHUUCJMFWXQVGOK-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenoxy)-3-fluorophenyl]methanol?
The IUPAC name of [4-(4-bromophenoxy)-3-fluorophenyl]methanol (CID 28946073) is [4-(4-bromophenoxy)-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(4-bromophenoxy)-3-fluorophenyl]methanol?
The canonical SMILES for [4-(4-bromophenoxy)-3-fluorophenyl]methanol is OCc1ccc(Oc2ccc(Br)cc2)c(F)c1.
What is the InChIKey of [4-(4-bromophenoxy)-3-fluorophenyl]methanol?
The InChIKey is HUUCJMFWXQVGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFO2/c14-10-2-4-11(5-3-10)17-13-6-1-9(8-16)7-12(13)15/h1-7,16H,8H2.
What are the key properties of [4-(4-bromophenoxy)-3-fluorophenyl]methanol?
[4-(4-bromophenoxy)-3-fluorophenyl]methanol has a molecular weight of 297.12 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromophenoxy)-3-fluorophenyl]methanol is sourced from PubChem (CID 28946073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).