4-[[3,5-dichloro-4-(4-fluorophenoxy)phenyl]methoxy]phenol

C19H13Cl2FO3 — CID 57276240

IUPAC4-[[3,5-dichloro-4-(4-fluorophenoxy)phenyl]methoxy]phenol
SMILESOc1ccc(OCc2cc(Cl)c(Oc3ccc(F)cc3)c(Cl)c2)cc1
InChIInChI=1S/C19H13Cl2FO3/c20-17-9-12(11-24-15-7-3-14(23)4-8-15)10-18(21)19(17)25-16-5-1-13(22)2-6-16/h1-10,23H,11H2
InChIKeyFIYFRKQRCLYQEA-UHFFFAOYSA-N
MW379.21 g/mol
LogP6.21
Rot. Bonds5

About 4-[[3,5-dichloro-4-(4-fluorophenoxy)phenyl]methoxy]phenol

4-[[3,5-dichloro-4-(4-fluorophenoxy)phenyl]methoxy]phenol (PubChem CID 57276240) has the molecular formula C19H13Cl2FO3 and a molecular weight of 379.21 g/mol. Its IUPAC name is 4-[[3,5-dichloro-4-(4-fluorophenoxy)phenyl]methoxy]phenol.

Molecular Properties

Compound Name4-[[3,5-dichloro-4-(4-fluorophenoxy)phenyl]methoxy]phenol
PubChem CID57276240
Molecular FormulaC19H13Cl2FO3
Molecular Weight379.21 g/mol
Exact Mass378.02
IUPAC Name4-[[3,5-dichloro-4-(4-fluorophenoxy)phenyl]methoxy]phenol
SMILESOc1ccc(OCc2cc(Cl)c(Oc3ccc(F)cc3)c(Cl)c2)cc1
InChIInChI=1S/C19H13Cl2FO3/c20-17-9-12(11-24-15-7-3-14(23)4-8-15)10-18(21)19(17)25-16-5-1-13(22)2-6-16/h1-10,23H,11H2
InChIKeyFIYFRKQRCLYQEA-UHFFFAOYSA-N
XLogP6.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.21
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-dichloro-4-(4-fluorophenoxy)phenyl]methoxy]phenol?
The IUPAC name of 4-[[3,5-dichloro-4-(4-fluorophenoxy)phenyl]methoxy]phenol (CID 57276240) is 4-[[3,5-dichloro-4-(4-fluorophenoxy)phenyl]methoxy]phenol.
What is the SMILES notation for 4-[[3,5-dichloro-4-(4-fluorophenoxy)phenyl]methoxy]phenol?
The canonical SMILES for 4-[[3,5-dichloro-4-(4-fluorophenoxy)phenyl]methoxy]phenol is Oc1ccc(OCc2cc(Cl)c(Oc3ccc(F)cc3)c(Cl)c2)cc1.
What is the InChIKey of 4-[[3,5-dichloro-4-(4-fluorophenoxy)phenyl]methoxy]phenol?
The InChIKey is FIYFRKQRCLYQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FO3/c20-17-9-12(11-24-15-7-3-14(23)4-8-15)10-18(21)19(17)25-16-5-1-13(22)2-6-16/h1-10,23H,11H2.
What are the key properties of 4-[[3,5-dichloro-4-(4-fluorophenoxy)phenyl]methoxy]phenol?
4-[[3,5-dichloro-4-(4-fluorophenoxy)phenyl]methoxy]phenol has a molecular weight of 379.21 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-dichloro-4-(4-fluorophenoxy)phenyl]methoxy]phenol is sourced from PubChem (CID 57276240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).