2,4,5-trichloro-3-(2,3,5,6-tetrafluorophenoxy)phenol

C12H3Cl3F4O2 — CID 57289422

IUPAC2,4,5-trichloro-3-(2,3,5,6-tetrafluorophenoxy)phenol
SMILESOc1cc(Cl)c(Cl)c(Oc2c(F)c(F)cc(F)c2F)c1Cl
InChIInChI=1S/C12H3Cl3F4O2/c13-3-1-6(20)8(15)11(7(3)14)21-12-9(18)4(16)2-5(17)10(12)19/h1-2,20H
InChIKeyYRCPIBUJKGWAPI-UHFFFAOYSA-N
MW361.51 g/mol
LogP5.70
Rot. Bonds2

About 2,4,5-trichloro-3-(2,3,5,6-tetrafluorophenoxy)phenol

2,4,5-trichloro-3-(2,3,5,6-tetrafluorophenoxy)phenol (PubChem CID 57289422) has the molecular formula C12H3Cl3F4O2 and a molecular weight of 361.51 g/mol. Its IUPAC name is 2,4,5-trichloro-3-(2,3,5,6-tetrafluorophenoxy)phenol.

Molecular Properties

Compound Name2,4,5-trichloro-3-(2,3,5,6-tetrafluorophenoxy)phenol
PubChem CID57289422
Molecular FormulaC12H3Cl3F4O2
Molecular Weight361.51 g/mol
Exact Mass359.91
IUPAC Name2,4,5-trichloro-3-(2,3,5,6-tetrafluorophenoxy)phenol
SMILESOc1cc(Cl)c(Cl)c(Oc2c(F)c(F)cc(F)c2F)c1Cl
InChIInChI=1S/C12H3Cl3F4O2/c13-3-1-6(20)8(15)11(7(3)14)21-12-9(18)4(16)2-5(17)10(12)19/h1-2,20H
InChIKeyYRCPIBUJKGWAPI-UHFFFAOYSA-N
XLogP5.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.51
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4,5-trichloro-3-(2,3,5,6-tetrafluorophenoxy)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,5-trichloro-4-fluorophenol
CID 142663358
1,2,3,5-tetrachloro-4-(2,3,5,6-tetrachlorophenoxy)benzene
CID 14178031
5-chloro-4-fluoro-3-methoxybenzene-1,2-diol
CID 84664376
2-chloro-5-fluorobenzene-1,4-diol
CID 45119169
2,5-dichloro-4-fluorophenol
CID 3535760
5-chloro-3,4-difluoro-2-methoxyphenol
CID 84665736
3-bromo-1,2-dichloro-4,5-difluorobenzene
CID 51000174
3-chloro-5-(2,3,5,6-tetrafluorophenoxy)-1,2,6-thiadiazin-4-one
CID 134104511
1,2,4,5-tetrafluoro-3-(4-methylphenoxy)benzene
CID 102110904
5-chloro-2-fluoro-4-methoxyphenol
CID 84655771
4-(2,3,5,6-tetrafluorophenoxy)aniline
CID 102133014
1,4-dichloronaphthalen-2-ol
CID 12578005

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-3-(2,3,5,6-tetrafluorophenoxy)phenol?
The IUPAC name of 2,4,5-trichloro-3-(2,3,5,6-tetrafluorophenoxy)phenol (CID 57289422) is 2,4,5-trichloro-3-(2,3,5,6-tetrafluorophenoxy)phenol.
What is the SMILES notation for 2,4,5-trichloro-3-(2,3,5,6-tetrafluorophenoxy)phenol?
The canonical SMILES for 2,4,5-trichloro-3-(2,3,5,6-tetrafluorophenoxy)phenol is Oc1cc(Cl)c(Cl)c(Oc2c(F)c(F)cc(F)c2F)c1Cl.
What is the InChIKey of 2,4,5-trichloro-3-(2,3,5,6-tetrafluorophenoxy)phenol?
The InChIKey is YRCPIBUJKGWAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3Cl3F4O2/c13-3-1-6(20)8(15)11(7(3)14)21-12-9(18)4(16)2-5(17)10(12)19/h1-2,20H.
What are the key properties of 2,4,5-trichloro-3-(2,3,5,6-tetrafluorophenoxy)phenol?
2,4,5-trichloro-3-(2,3,5,6-tetrafluorophenoxy)phenol has a molecular weight of 361.51 g/mol, XLogP of 5.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-3-(2,3,5,6-tetrafluorophenoxy)phenol is sourced from PubChem (CID 57289422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).