[2-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methanol

C13H8BrF3O2 — CID 107100165

IUPAC[2-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methanol
SMILESOCc1cc(F)ccc1Oc1cc(Br)cc(F)c1F
InChIInChI=1S/C13H8BrF3O2/c14-8-4-10(16)13(17)12(5-8)19-11-2-1-9(15)3-7(11)6-18/h1-5,18H,6H2
InChIKeyPBOKQKOBCQMKRF-UHFFFAOYSA-N
MW333.10 g/mol
LogP4.15
Rot. Bonds3

About [2-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methanol

[2-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methanol (PubChem CID 107100165) has the molecular formula C13H8BrF3O2 and a molecular weight of 333.10 g/mol. Its IUPAC name is [2-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methanol
PubChem CID107100165
Molecular FormulaC13H8BrF3O2
Molecular Weight333.10 g/mol
Exact Mass331.97
IUPAC Name[2-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methanol
SMILESOCc1cc(F)ccc1Oc1cc(Br)cc(F)c1F
InChIInChI=1S/C13H8BrF3O2/c14-8-4-10(16)13(17)12(5-8)19-11-2-1-9(15)3-7(11)6-18/h1-5,18H,6H2
InChIKeyPBOKQKOBCQMKRF-UHFFFAOYSA-N
XLogP4.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.10
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol
CID 107100181
[2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol
CID 43313412
[2-(5-bromo-2-methylphenoxy)-5-fluorophenyl]methanol
CID 107284920
[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol
CID 114845999
[2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 107097834
[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]methanol
CID 62673083
[2-(2,3-dichlorophenoxy)-5-fluorophenyl]methanol
CID 43313342
1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 114674362
2-[(5-bromo-2,3-difluorophenoxy)methyl]-5-fluorobenzenecarbothioamide
CID 107098447
[2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]methanol
CID 103010830
2-[4-(5-bromo-2,3-difluorophenoxy)-3-fluorophenyl]ethanamine
CID 107102021
[2-(4-tert-butyl-2-methylphenoxy)-5-fluorophenyl]methanol
CID 43313481

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methanol?
The IUPAC name of [2-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methanol (CID 107100165) is [2-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methanol.
What is the SMILES notation for [2-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methanol?
The canonical SMILES for [2-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methanol is OCc1cc(F)ccc1Oc1cc(Br)cc(F)c1F.
What is the InChIKey of [2-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methanol?
The InChIKey is PBOKQKOBCQMKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3O2/c14-8-4-10(16)13(17)12(5-8)19-11-2-1-9(15)3-7(11)6-18/h1-5,18H,6H2.
What are the key properties of [2-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methanol?
[2-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methanol has a molecular weight of 333.10 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methanol is sourced from PubChem (CID 107100165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).