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

C13H10BrFO2 — CID 83235131

IUPAC[2-(3-bromo-4-fluorophenoxy)phenyl]methanol
SMILESOCc1ccccc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C13H10BrFO2/c14-11-7-10(5-6-12(11)15)17-13-4-2-1-3-9(13)8-16/h1-7,16H,8H2
InChIKeyQASOBIQKWVWBIZ-UHFFFAOYSA-N
MW297.12 g/mol
LogP3.87
Rot. Bonds3

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

[2-(3-bromo-4-fluorophenoxy)phenyl]methanol (PubChem CID 83235131) has the molecular formula C13H10BrFO2 and a molecular weight of 297.12 g/mol. Its IUPAC name is [2-(3-bromo-4-fluorophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-(3-bromo-4-fluorophenoxy)phenyl]methanol
PubChem CID83235131
Molecular FormulaC13H10BrFO2
Molecular Weight297.12 g/mol
Exact Mass295.98
IUPAC Name[2-(3-bromo-4-fluorophenoxy)phenyl]methanol
SMILESOCc1ccccc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C13H10BrFO2/c14-11-7-10(5-6-12(11)15)17-13-4-2-1-3-9(13)8-16/h1-7,16H,8H2
InChIKeyQASOBIQKWVWBIZ-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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Related Compounds

[4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83234633
[2-(3-bromo-4-fluorophenoxy)-3-fluorophenyl]methanol
CID 114067647
[2-(2-amino-5-bromo-4-fluorophenoxy)phenyl]methanol
CID 116736523
[2-(3-bromo-5-fluorophenoxy)phenyl]methanol
CID 81331819
[2-(3-bromo-4-fluorophenoxy)quinolin-4-yl]methanol
CID 83233363
[2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol
CID 114042695
2-bromo-1-fluoro-4-phenoxybenzene
CID 71774083
2-(hydroxymethyl)-4-[2-(hydroxymethyl)phenoxy]phenolate
CID 102341348
[4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol
CID 63653809
[2-bromo-4-(2-chlorophenoxy)phenyl]methanol
CID 114060389
[2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol
CID 107100181
[2-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]methanol
CID 114060424

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-fluorophenoxy)phenyl]methanol?
The IUPAC name of [2-(3-bromo-4-fluorophenoxy)phenyl]methanol (CID 83235131) is [2-(3-bromo-4-fluorophenoxy)phenyl]methanol.
What is the SMILES notation for [2-(3-bromo-4-fluorophenoxy)phenyl]methanol?
The canonical SMILES for [2-(3-bromo-4-fluorophenoxy)phenyl]methanol is OCc1ccccc1Oc1ccc(F)c(Br)c1.
What is the InChIKey of [2-(3-bromo-4-fluorophenoxy)phenyl]methanol?
The InChIKey is QASOBIQKWVWBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFO2/c14-11-7-10(5-6-12(11)15)17-13-4-2-1-3-9(13)8-16/h1-7,16H,8H2.
What are the key properties of [2-(3-bromo-4-fluorophenoxy)phenyl]methanol?
[2-(3-bromo-4-fluorophenoxy)phenyl]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 [2-(3-bromo-4-fluorophenoxy)phenyl]methanol is sourced from PubChem (CID 83235131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).