3,5-dichloro-4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-2-yl]ethoxy]phenol

C19H17Cl2F3O4 — CID 18504647

IUPAC3,5-dichloro-4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-2-yl]ethoxy]phenol
SMILESOc1cc(Cl)c(OCCC2(c3ccc(C(F)(F)F)cc3)OCCCO2)c(Cl)c1
InChIInChI=1S/C19H17Cl2F3O4/c20-15-10-14(25)11-16(21)17(15)26-9-6-18(27-7-1-8-28-18)12-2-4-13(5-3-12)19(22,23)24/h2-5,10-11,25H,1,6-9H2
InChIKeyWJLBCSGPNVHENK-UHFFFAOYSA-N
MW437.24 g/mol
LogP5.78
Rot. Bonds5

About 3,5-dichloro-4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-2-yl]ethoxy]phenol

3,5-dichloro-4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-2-yl]ethoxy]phenol (PubChem CID 18504647) has the molecular formula C19H17Cl2F3O4 and a molecular weight of 437.24 g/mol. Its IUPAC name is 3,5-dichloro-4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-2-yl]ethoxy]phenol.

Molecular Properties

Compound Name3,5-dichloro-4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-2-yl]ethoxy]phenol
PubChem CID18504647
Molecular FormulaC19H17Cl2F3O4
Molecular Weight437.24 g/mol
Exact Mass436.05
IUPAC Name3,5-dichloro-4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-2-yl]ethoxy]phenol
SMILESOc1cc(Cl)c(OCCC2(c3ccc(C(F)(F)F)cc3)OCCCO2)c(Cl)c1
InChIInChI=1S/C19H17Cl2F3O4/c20-15-10-14(25)11-16(21)17(15)26-9-6-18(27-7-1-8-28-18)12-2-4-13(5-3-12)19(22,23)24/h2-5,10-11,25H,1,6-9H2
InChIKeyWJLBCSGPNVHENK-UHFFFAOYSA-N
XLogP5.78
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.24
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-dichloro-4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-2-yl]ethoxy]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-2-yl]ethoxy]phenol?
The IUPAC name of 3,5-dichloro-4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-2-yl]ethoxy]phenol (CID 18504647) is 3,5-dichloro-4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-2-yl]ethoxy]phenol.
What is the SMILES notation for 3,5-dichloro-4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-2-yl]ethoxy]phenol?
The canonical SMILES for 3,5-dichloro-4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-2-yl]ethoxy]phenol is Oc1cc(Cl)c(OCCC2(c3ccc(C(F)(F)F)cc3)OCCCO2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-2-yl]ethoxy]phenol?
The InChIKey is WJLBCSGPNVHENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F3O4/c20-15-10-14(25)11-16(21)17(15)26-9-6-18(27-7-1-8-28-18)12-2-4-13(5-3-12)19(22,23)24/h2-5,10-11,25H,1,6-9H2.
What are the key properties of 3,5-dichloro-4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-2-yl]ethoxy]phenol?
3,5-dichloro-4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-2-yl]ethoxy]phenol has a molecular weight of 437.24 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-2-yl]ethoxy]phenol is sourced from PubChem (CID 18504647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).