3,5-dichloro-4-(3,5-dichloro-2-hydroxyphenyl)-2-(2,4-dichlorophenoxy)phenol

C18H8Cl6O3 — CID 156582793

IUPAC3,5-dichloro-4-(3,5-dichloro-2-hydroxyphenyl)-2-(2,4-dichlorophenoxy)phenol
SMILESOc1cc(Cl)c(-c2cc(Cl)cc(Cl)c2O)c(Cl)c1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H8Cl6O3/c19-7-1-2-14(10(21)4-7)27-18-13(25)6-11(22)15(16(18)24)9-3-8(20)5-12(23)17(9)26/h1-6,25-26H
InChIKeyQDBDYUNNEBPLSG-UHFFFAOYSA-N
MW484.98 g/mol
LogP8.48
Rot. Bonds3

About 3,5-dichloro-4-(3,5-dichloro-2-hydroxyphenyl)-2-(2,4-dichlorophenoxy)phenol

3,5-dichloro-4-(3,5-dichloro-2-hydroxyphenyl)-2-(2,4-dichlorophenoxy)phenol (PubChem CID 156582793) has the molecular formula C18H8Cl6O3 and a molecular weight of 484.98 g/mol. Its IUPAC name is 3,5-dichloro-4-(3,5-dichloro-2-hydroxyphenyl)-2-(2,4-dichlorophenoxy)phenol.

Molecular Properties

Compound Name3,5-dichloro-4-(3,5-dichloro-2-hydroxyphenyl)-2-(2,4-dichlorophenoxy)phenol
PubChem CID156582793
Molecular FormulaC18H8Cl6O3
Molecular Weight484.98 g/mol
Exact Mass481.86
IUPAC Name3,5-dichloro-4-(3,5-dichloro-2-hydroxyphenyl)-2-(2,4-dichlorophenoxy)phenol
SMILESOc1cc(Cl)c(-c2cc(Cl)cc(Cl)c2O)c(Cl)c1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H8Cl6O3/c19-7-1-2-14(10(21)4-7)27-18-13(25)6-11(22)15(16(18)24)9-3-8(20)5-12(23)17(9)26/h1-6,25-26H
InChIKeyQDBDYUNNEBPLSG-UHFFFAOYSA-N
XLogP8.48
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.98
LogP ≤ 58.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
CID 87201530
5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
CID 66601504
5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol
CID 67724550
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane
CID 145310067
4-(2,4-dichlorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81286790
[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol
CID 63077759
5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol
CID 23656591
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane;methane
CID 145310066
3-chloro-6-(2,4-dichlorophenoxy)-2-(difluoromethyl)phenol
CID 86576202
2-(2,4-dichlorophenoxy)-5-ethylphenol
CID 25023958
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]ethanone
CID 63532509
1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]propan-1-one
CID 71733548

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(3,5-dichloro-2-hydroxyphenyl)-2-(2,4-dichlorophenoxy)phenol?
The IUPAC name of 3,5-dichloro-4-(3,5-dichloro-2-hydroxyphenyl)-2-(2,4-dichlorophenoxy)phenol (CID 156582793) is 3,5-dichloro-4-(3,5-dichloro-2-hydroxyphenyl)-2-(2,4-dichlorophenoxy)phenol.
What is the SMILES notation for 3,5-dichloro-4-(3,5-dichloro-2-hydroxyphenyl)-2-(2,4-dichlorophenoxy)phenol?
The canonical SMILES for 3,5-dichloro-4-(3,5-dichloro-2-hydroxyphenyl)-2-(2,4-dichlorophenoxy)phenol is Oc1cc(Cl)c(-c2cc(Cl)cc(Cl)c2O)c(Cl)c1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-(3,5-dichloro-2-hydroxyphenyl)-2-(2,4-dichlorophenoxy)phenol?
The InChIKey is QDBDYUNNEBPLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Cl6O3/c19-7-1-2-14(10(21)4-7)27-18-13(25)6-11(22)15(16(18)24)9-3-8(20)5-12(23)17(9)26/h1-6,25-26H.
What are the key properties of 3,5-dichloro-4-(3,5-dichloro-2-hydroxyphenyl)-2-(2,4-dichlorophenoxy)phenol?
3,5-dichloro-4-(3,5-dichloro-2-hydroxyphenyl)-2-(2,4-dichlorophenoxy)phenol has a molecular weight of 484.98 g/mol, XLogP of 8.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(3,5-dichloro-2-hydroxyphenyl)-2-(2,4-dichlorophenoxy)phenol is sourced from PubChem (CID 156582793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).