[4-(4-bromo-2,5-dichlorophenoxy)-3,5-difluorophenyl]methanol

C13H7BrCl2F2O2 — CID 107659098

IUPAC[4-(4-bromo-2,5-dichlorophenoxy)-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(Oc2cc(Cl)c(Br)cc2Cl)c(F)c1
InChIInChI=1S/C13H7BrCl2F2O2/c14-7-3-9(16)12(4-8(7)15)20-13-10(17)1-6(5-19)2-11(13)18/h1-4,19H,5H2
InChIKeyXLXIWFJBZLRPQI-UHFFFAOYSA-N
MW384.00 g/mol
LogP5.32
Rot. Bonds3

About [4-(4-bromo-2,5-dichlorophenoxy)-3,5-difluorophenyl]methanol

[4-(4-bromo-2,5-dichlorophenoxy)-3,5-difluorophenyl]methanol (PubChem CID 107659098) has the molecular formula C13H7BrCl2F2O2 and a molecular weight of 384.00 g/mol. Its IUPAC name is [4-(4-bromo-2,5-dichlorophenoxy)-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-(4-bromo-2,5-dichlorophenoxy)-3,5-difluorophenyl]methanol
PubChem CID107659098
Molecular FormulaC13H7BrCl2F2O2
Molecular Weight384.00 g/mol
Exact Mass381.90
IUPAC Name[4-(4-bromo-2,5-dichlorophenoxy)-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(Oc2cc(Cl)c(Br)cc2Cl)c(F)c1
InChIInChI=1S/C13H7BrCl2F2O2/c14-7-3-9(16)12(4-8(7)15)20-13-10(17)1-6(5-19)2-11(13)18/h1-4,19H,5H2
InChIKeyXLXIWFJBZLRPQI-UHFFFAOYSA-N
XLogP5.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.00
LogP ≤ 55.32
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

[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol
CID 63077759
[4-(2-chlorophenoxy)-3,5-difluorophenyl]methanol
CID 63077057
[4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol
CID 116689370
[4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]methanol
CID 107659090
[2-(4-bromo-2,5-dichlorophenoxy)-5-chlorophenyl]methanol
CID 107659046
[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol
CID 107659076
N-[[4-(4-bromo-2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 107659542
[4-(4-bromo-2-propan-2-ylphenoxy)-3,5-difluorophenyl]methanol
CID 115402414
[3-fluoro-5-(2,4,5-trichlorophenoxy)phenyl]methanol
CID 106530101
[4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol
CID 63078114
N-[[4-(2-bromo-4-chlorophenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63552010
[3-(4-bromo-2,5-dichlorophenoxy)-5-fluorophenyl]methanamine
CID 107655084

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-2,5-dichlorophenoxy)-3,5-difluorophenyl]methanol?
The IUPAC name of [4-(4-bromo-2,5-dichlorophenoxy)-3,5-difluorophenyl]methanol (CID 107659098) is [4-(4-bromo-2,5-dichlorophenoxy)-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-(4-bromo-2,5-dichlorophenoxy)-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-(4-bromo-2,5-dichlorophenoxy)-3,5-difluorophenyl]methanol is OCc1cc(F)c(Oc2cc(Cl)c(Br)cc2Cl)c(F)c1.
What is the InChIKey of [4-(4-bromo-2,5-dichlorophenoxy)-3,5-difluorophenyl]methanol?
The InChIKey is XLXIWFJBZLRPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2F2O2/c14-7-3-9(16)12(4-8(7)15)20-13-10(17)1-6(5-19)2-11(13)18/h1-4,19H,5H2.
What are the key properties of [4-(4-bromo-2,5-dichlorophenoxy)-3,5-difluorophenyl]methanol?
[4-(4-bromo-2,5-dichlorophenoxy)-3,5-difluorophenyl]methanol has a molecular weight of 384.00 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-2,5-dichlorophenoxy)-3,5-difluorophenyl]methanol is sourced from PubChem (CID 107659098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).