[2-(3-bromo-5-fluorophenoxy)phenyl]methanol

C13H10BrFO2 — CID 81331819

IUPAC[2-(3-bromo-5-fluorophenoxy)phenyl]methanol
SMILESOCc1ccccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C13H10BrFO2/c14-10-5-11(15)7-12(6-10)17-13-4-2-1-3-9(13)8-16/h1-7,16H,8H2
InChIKeyHCGSAUTYEFXXKY-UHFFFAOYSA-N
MW297.12 g/mol
LogP3.87
Rot. Bonds3

About [2-(3-bromo-5-fluorophenoxy)phenyl]methanol

[2-(3-bromo-5-fluorophenoxy)phenyl]methanol (PubChem CID 81331819) has the molecular formula C13H10BrFO2 and a molecular weight of 297.12 g/mol. Its IUPAC name is [2-(3-bromo-5-fluorophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-(3-bromo-5-fluorophenoxy)phenyl]methanol
PubChem CID81331819
Molecular FormulaC13H10BrFO2
Molecular Weight297.12 g/mol
Exact Mass295.98
IUPAC Name[2-(3-bromo-5-fluorophenoxy)phenyl]methanol
SMILESOCc1ccccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C13H10BrFO2/c14-10-5-11(15)7-12(6-10)17-13-4-2-1-3-9(13)8-16/h1-7,16H,8H2
InChIKeyHCGSAUTYEFXXKY-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

1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine
CID 81325789
[2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol
CID 107100181
[2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83235131
2-(3-bromo-5-fluorophenoxy)benzamide
CID 81331712
2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 81326172
1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-1-ol
CID 112679142
[2-(2-amino-3,5-difluorophenoxy)phenyl]methanol
CID 113325423
2-(3-bromo-5-fluorophenoxy)-6-fluorobenzoic acid
CID 81326096
2-[2-[3-(aminomethyl)-5-fluorophenoxy]phenyl]ethanol
CID 107711745
2-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]ethanamine
CID 114863369
1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol
CID 70121150
1-[(3-bromo-5-fluorophenoxy)methyl]naphthalene
CID 81331619

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-5-fluorophenoxy)phenyl]methanol?
The IUPAC name of [2-(3-bromo-5-fluorophenoxy)phenyl]methanol (CID 81331819) is [2-(3-bromo-5-fluorophenoxy)phenyl]methanol.
What is the SMILES notation for [2-(3-bromo-5-fluorophenoxy)phenyl]methanol?
The canonical SMILES for [2-(3-bromo-5-fluorophenoxy)phenyl]methanol is OCc1ccccc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of [2-(3-bromo-5-fluorophenoxy)phenyl]methanol?
The InChIKey is HCGSAUTYEFXXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFO2/c14-10-5-11(15)7-12(6-10)17-13-4-2-1-3-9(13)8-16/h1-7,16H,8H2.
What are the key properties of [2-(3-bromo-5-fluorophenoxy)phenyl]methanol?
[2-(3-bromo-5-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-5-fluorophenoxy)phenyl]methanol is sourced from PubChem (CID 81331819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).