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

C13H9BrF2O2 — CID 114067647

IUPAC[2-(3-bromo-4-fluorophenoxy)-3-fluorophenyl]methanol
SMILESOCc1cccc(F)c1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C13H9BrF2O2/c14-10-6-9(4-5-11(10)15)18-13-8(7-17)2-1-3-12(13)16/h1-6,17H,7H2
InChIKeyCRRFMUFVZZCCJJ-UHFFFAOYSA-N
MW315.11 g/mol
LogP4.01
Rot. Bonds3

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

[2-(3-bromo-4-fluorophenoxy)-3-fluorophenyl]methanol (PubChem CID 114067647) has the molecular formula C13H9BrF2O2 and a molecular weight of 315.11 g/mol. Its IUPAC name is [2-(3-bromo-4-fluorophenoxy)-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-(3-bromo-4-fluorophenoxy)-3-fluorophenyl]methanol
PubChem CID114067647
Molecular FormulaC13H9BrF2O2
Molecular Weight315.11 g/mol
Exact Mass313.98
IUPAC Name[2-(3-bromo-4-fluorophenoxy)-3-fluorophenyl]methanol
SMILESOCc1cccc(F)c1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C13H9BrF2O2/c14-10-6-9(4-5-11(10)15)18-13-8(7-17)2-1-3-12(13)16/h1-6,17H,7H2
InChIKeyCRRFMUFVZZCCJJ-UHFFFAOYSA-N
XLogP4.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.11
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83235131
[2-(3-bromo-4-fluorophenoxy)quinolin-4-yl]methanol
CID 83233363
[4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83234633
2-bromo-1-fluoro-4-phenoxybenzene
CID 71774083
1-(chloromethyl)-3-fluoro-2-(4-methoxyphenoxy)benzene
CID 114067984
[2-bromo-4-(4-chlorophenoxy)phenyl]methanol
CID 66738685
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112613188
[5-(2-chloro-6-fluorophenoxy)-2-ethylphenyl]methanol;ethane
CID 178142129
2-bromo-4-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 83232064
1-[2-(3-bromo-4-fluorophenoxy)-6-fluorophenyl]ethanone
CID 83235123
3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol
CID 112612921
1-[2-(4-bromophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 114069268

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-fluorophenoxy)-3-fluorophenyl]methanol?
The IUPAC name of [2-(3-bromo-4-fluorophenoxy)-3-fluorophenyl]methanol (CID 114067647) is [2-(3-bromo-4-fluorophenoxy)-3-fluorophenyl]methanol.
What is the SMILES notation for [2-(3-bromo-4-fluorophenoxy)-3-fluorophenyl]methanol?
The canonical SMILES for [2-(3-bromo-4-fluorophenoxy)-3-fluorophenyl]methanol is OCc1cccc(F)c1Oc1ccc(F)c(Br)c1.
What is the InChIKey of [2-(3-bromo-4-fluorophenoxy)-3-fluorophenyl]methanol?
The InChIKey is CRRFMUFVZZCCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2O2/c14-10-6-9(4-5-11(10)15)18-13-8(7-17)2-1-3-12(13)16/h1-6,17H,7H2.
What are the key properties of [2-(3-bromo-4-fluorophenoxy)-3-fluorophenyl]methanol?
[2-(3-bromo-4-fluorophenoxy)-3-fluorophenyl]methanol has a molecular weight of 315.11 g/mol, XLogP of 4.01, 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)-3-fluorophenyl]methanol is sourced from PubChem (CID 114067647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).