[2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol

C13H9BrF2O2 — CID 43313412

IUPAC[2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol
SMILESOCc1cc(F)ccc1Oc1ccc(F)cc1Br
InChIInChI=1S/C13H9BrF2O2/c14-11-6-10(16)2-4-13(11)18-12-3-1-9(15)5-8(12)7-17/h1-6,17H,7H2
InChIKeyDFEWLEULQSYYNH-UHFFFAOYSA-N
MW315.11 g/mol
LogP4.01
Rot. Bonds3

About [2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol

[2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol (PubChem CID 43313412) has the molecular formula C13H9BrF2O2 and a molecular weight of 315.11 g/mol. Its IUPAC name is [2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol
PubChem CID43313412
Molecular FormulaC13H9BrF2O2
Molecular Weight315.11 g/mol
Exact Mass313.98
IUPAC Name[2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol
SMILESOCc1cc(F)ccc1Oc1ccc(F)cc1Br
InChIInChI=1S/C13H9BrF2O2/c14-11-6-10(16)2-4-13(11)18-12-3-1-9(15)5-8(12)7-17/h1-6,17H,7H2
InChIKeyDFEWLEULQSYYNH-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-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol
CID 114845999
[2-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methanol
CID 107100165
[2-(5-bromo-2-methylphenoxy)-5-fluorophenyl]methanol
CID 107284920
2-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-4-fluorobenzene
CID 114061645
2,4-dibromo-1-[2-(chloromethyl)-4-fluorophenoxy]benzene
CID 64720458
[2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]methanol
CID 103010830
[2-(2,3-dichlorophenoxy)-5-fluorophenyl]methanol
CID 43313342
[2-(2,6-dibromo-4-nitrophenoxy)-5-fluorophenyl]methanol
CID 62097810
[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]methanol
CID 62673083
[2-(4-tert-butyl-2-methylphenoxy)-5-fluorophenyl]methanol
CID 43313481
2-bromo-1-[2-bromo-4-(chloromethyl)phenoxy]-4-fluorobenzene
CID 114062604
[2-(2-bromo-4-fluorophenoxy)-4-pyridinyl]methanol
CID 61255659

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol?
The IUPAC name of [2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol (CID 43313412) is [2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol.
What is the SMILES notation for [2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol?
The canonical SMILES for [2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol is OCc1cc(F)ccc1Oc1ccc(F)cc1Br.
What is the InChIKey of [2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol?
The InChIKey is DFEWLEULQSYYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2O2/c14-11-6-10(16)2-4-13(11)18-12-3-1-9(15)5-8(12)7-17/h1-6,17H,7H2.
What are the key properties of [2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol?
[2-(2-bromo-4-fluorophenoxy)-5-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-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol is sourced from PubChem (CID 43313412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).