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

C19H13Cl2FO3 — CID 54389744

IUPAC3,5-dichloro-4-[[3-(4-fluorophenoxy)phenyl]methoxy]phenol
SMILESOc1cc(Cl)c(OCc2cccc(Oc3ccc(F)cc3)c2)c(Cl)c1
InChIInChI=1S/C19H13Cl2FO3/c20-17-9-14(23)10-18(21)19(17)24-11-12-2-1-3-16(8-12)25-15-6-4-13(22)5-7-15/h1-10,23H,11H2
InChIKeyVFTXBDBLMKXHJC-UHFFFAOYSA-N
MW379.21 g/mol
LogP6.21
Rot. Bonds5

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

3,5-dichloro-4-[[3-(4-fluorophenoxy)phenyl]methoxy]phenol (PubChem CID 54389744) has the molecular formula C19H13Cl2FO3 and a molecular weight of 379.21 g/mol. Its IUPAC name is 3,5-dichloro-4-[[3-(4-fluorophenoxy)phenyl]methoxy]phenol.

Molecular Properties

Compound Name3,5-dichloro-4-[[3-(4-fluorophenoxy)phenyl]methoxy]phenol
PubChem CID54389744
Molecular FormulaC19H13Cl2FO3
Molecular Weight379.21 g/mol
Exact Mass378.02
IUPAC Name3,5-dichloro-4-[[3-(4-fluorophenoxy)phenyl]methoxy]phenol
SMILESOc1cc(Cl)c(OCc2cccc(Oc3ccc(F)cc3)c2)c(Cl)c1
InChIInChI=1S/C19H13Cl2FO3/c20-17-9-14(23)10-18(21)19(17)24-11-12-2-1-3-16(8-12)25-15-6-4-13(22)5-7-15/h1-10,23H,11H2
InChIKeyVFTXBDBLMKXHJC-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 3,5-dichloro-4-[[3-(4-fluorophenoxy)phenyl]methoxy]phenol?
The IUPAC name of 3,5-dichloro-4-[[3-(4-fluorophenoxy)phenyl]methoxy]phenol (CID 54389744) is 3,5-dichloro-4-[[3-(4-fluorophenoxy)phenyl]methoxy]phenol.
What is the SMILES notation for 3,5-dichloro-4-[[3-(4-fluorophenoxy)phenyl]methoxy]phenol?
The canonical SMILES for 3,5-dichloro-4-[[3-(4-fluorophenoxy)phenyl]methoxy]phenol is Oc1cc(Cl)c(OCc2cccc(Oc3ccc(F)cc3)c2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[[3-(4-fluorophenoxy)phenyl]methoxy]phenol?
The InChIKey is VFTXBDBLMKXHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FO3/c20-17-9-14(23)10-18(21)19(17)24-11-12-2-1-3-16(8-12)25-15-6-4-13(22)5-7-15/h1-10,23H,11H2.
What are the key properties of 3,5-dichloro-4-[[3-(4-fluorophenoxy)phenyl]methoxy]phenol?
3,5-dichloro-4-[[3-(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 3,5-dichloro-4-[[3-(4-fluorophenoxy)phenyl]methoxy]phenol is sourced from PubChem (CID 54389744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).