[3-fluoro-5-(2,4,5-trichlorophenoxy)phenyl]methanol

C13H8Cl3FO2 — CID 106530101

IUPAC[3-fluoro-5-(2,4,5-trichlorophenoxy)phenyl]methanol
SMILESOCc1cc(F)cc(Oc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C13H8Cl3FO2/c14-10-4-12(16)13(5-11(10)15)19-9-2-7(6-18)1-8(17)3-9/h1-5,18H,6H2
InChIKeyFVEDJQNEOMXPKA-UHFFFAOYSA-N
MW321.56 g/mol
LogP5.07
Rot. Bonds3

About [3-fluoro-5-(2,4,5-trichlorophenoxy)phenyl]methanol

[3-fluoro-5-(2,4,5-trichlorophenoxy)phenyl]methanol (PubChem CID 106530101) has the molecular formula C13H8Cl3FO2 and a molecular weight of 321.56 g/mol. Its IUPAC name is [3-fluoro-5-(2,4,5-trichlorophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-5-(2,4,5-trichlorophenoxy)phenyl]methanol
PubChem CID106530101
Molecular FormulaC13H8Cl3FO2
Molecular Weight321.56 g/mol
Exact Mass319.96
IUPAC Name[3-fluoro-5-(2,4,5-trichlorophenoxy)phenyl]methanol
SMILESOCc1cc(F)cc(Oc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C13H8Cl3FO2/c14-10-4-12(16)13(5-11(10)15)19-9-2-7(6-18)1-8(17)3-9/h1-5,18H,6H2
InChIKeyFVEDJQNEOMXPKA-UHFFFAOYSA-N
XLogP5.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.56
LogP ≤ 55.07
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

1,2,4-trichloro-5-[3-(chloromethyl)-5-fluorophenoxy]benzene
CID 106530586
[3-(4-bromo-2,5-dichlorophenoxy)-5-fluorophenyl]methanamine
CID 107655084
[3-fluoro-5-(5-fluoro-2-methylphenoxy)phenyl]methanol
CID 106530242
[3-(3-chlorophenoxy)-5-fluorophenyl]methanol
CID 106530131
[3-(2,3-difluorophenoxy)-5-fluorophenyl]methanol
CID 106530200
(3-fluoro-5-methoxyphenyl)methanol
CID 26985456
[3-(4-ethyl-2-methoxyphenoxy)-5-fluorophenyl]methanol
CID 107665951
[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanol
CID 106530108
[4-(3,5-difluorophenoxy)-3-fluorophenyl]methanol
CID 55112239
[3-(2-butan-2-ylphenoxy)-5-fluorophenyl]methanol
CID 106530139
[4-(4-bromo-2,5-dichlorophenoxy)-3,5-difluorophenyl]methanol
CID 107659098
1-chloro-2-[3-(chloromethyl)-5-fluorophenoxy]-4-nitrobenzene
CID 106530691

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(2,4,5-trichlorophenoxy)phenyl]methanol?
The IUPAC name of [3-fluoro-5-(2,4,5-trichlorophenoxy)phenyl]methanol (CID 106530101) is [3-fluoro-5-(2,4,5-trichlorophenoxy)phenyl]methanol.
What is the SMILES notation for [3-fluoro-5-(2,4,5-trichlorophenoxy)phenyl]methanol?
The canonical SMILES for [3-fluoro-5-(2,4,5-trichlorophenoxy)phenyl]methanol is OCc1cc(F)cc(Oc2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of [3-fluoro-5-(2,4,5-trichlorophenoxy)phenyl]methanol?
The InChIKey is FVEDJQNEOMXPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3FO2/c14-10-4-12(16)13(5-11(10)15)19-9-2-7(6-18)1-8(17)3-9/h1-5,18H,6H2.
What are the key properties of [3-fluoro-5-(2,4,5-trichlorophenoxy)phenyl]methanol?
[3-fluoro-5-(2,4,5-trichlorophenoxy)phenyl]methanol has a molecular weight of 321.56 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(2,4,5-trichlorophenoxy)phenyl]methanol is sourced from PubChem (CID 106530101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).