2-(2,4-dichlorophenoxy)-5-(4-fluorophenyl)phenol

C18H11Cl2FO2 — CID 25023968

IUPAC2-(2,4-dichlorophenoxy)-5-(4-fluorophenyl)phenol
SMILESOc1cc(-c2ccc(F)cc2)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H11Cl2FO2/c19-13-4-8-17(15(20)10-13)23-18-7-3-12(9-16(18)22)11-1-5-14(21)6-2-11/h1-10,22H
InChIKeyLFNMTUYVBXAAKI-UHFFFAOYSA-N
MW349.19 g/mol
LogP6.30
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)-5-(4-fluorophenyl)phenol

2-(2,4-dichlorophenoxy)-5-(4-fluorophenyl)phenol (PubChem CID 25023968) has the molecular formula C18H11Cl2FO2 and a molecular weight of 349.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-5-(4-fluorophenyl)phenol.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-5-(4-fluorophenyl)phenol
PubChem CID25023968
Molecular FormulaC18H11Cl2FO2
Molecular Weight349.19 g/mol
Exact Mass348.01
IUPAC Name2-(2,4-dichlorophenoxy)-5-(4-fluorophenyl)phenol
SMILESOc1cc(-c2ccc(F)cc2)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H11Cl2FO2/c19-13-4-8-17(15(20)10-13)23-18-7-3-12(9-16(18)22)11-1-5-14(21)6-2-11/h1-10,22H
InChIKeyLFNMTUYVBXAAKI-UHFFFAOYSA-N
XLogP6.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.19
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-5-(4-fluorophenyl)phenol?
The IUPAC name of 2-(2,4-dichlorophenoxy)-5-(4-fluorophenyl)phenol (CID 25023968) is 2-(2,4-dichlorophenoxy)-5-(4-fluorophenyl)phenol.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-5-(4-fluorophenyl)phenol?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-5-(4-fluorophenyl)phenol is Oc1cc(-c2ccc(F)cc2)ccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-5-(4-fluorophenyl)phenol?
The InChIKey is LFNMTUYVBXAAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2FO2/c19-13-4-8-17(15(20)10-13)23-18-7-3-12(9-16(18)22)11-1-5-14(21)6-2-11/h1-10,22H.
What are the key properties of 2-(2,4-dichlorophenoxy)-5-(4-fluorophenyl)phenol?
2-(2,4-dichlorophenoxy)-5-(4-fluorophenyl)phenol has a molecular weight of 349.19 g/mol, XLogP of 6.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-5-(4-fluorophenyl)phenol is sourced from PubChem (CID 25023968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).