4,5-dichloro-2-(4,5-dichloro-2-hydroxyphenoxy)phenol

C12H6Cl4O3 — CID 100954533

IUPAC4,5-dichloro-2-(4,5-dichloro-2-hydroxyphenoxy)phenol
SMILESOc1cc(Cl)c(Cl)cc1Oc1cc(Cl)c(Cl)cc1O
InChIInChI=1S/C12H6Cl4O3/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4,17-18H
InChIKeyPAICNNYXQXWSGQ-UHFFFAOYSA-N
MW339.99 g/mol
LogP5.50
Rot. Bonds2

About 4,5-dichloro-2-(4,5-dichloro-2-hydroxyphenoxy)phenol

4,5-dichloro-2-(4,5-dichloro-2-hydroxyphenoxy)phenol (PubChem CID 100954533) has the molecular formula C12H6Cl4O3 and a molecular weight of 339.99 g/mol. Its IUPAC name is 4,5-dichloro-2-(4,5-dichloro-2-hydroxyphenoxy)phenol.

Molecular Properties

Compound Name4,5-dichloro-2-(4,5-dichloro-2-hydroxyphenoxy)phenol
PubChem CID100954533
Molecular FormulaC12H6Cl4O3
Molecular Weight339.99 g/mol
Exact Mass337.91
IUPAC Name4,5-dichloro-2-(4,5-dichloro-2-hydroxyphenoxy)phenol
SMILESOc1cc(Cl)c(Cl)cc1Oc1cc(Cl)c(Cl)cc1O
InChIInChI=1S/C12H6Cl4O3/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4,17-18H
InChIKeyPAICNNYXQXWSGQ-UHFFFAOYSA-N
XLogP5.50
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.99
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-aminopentoxy)-4,5-dichlorophenol
CID 101415763
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
2,5-dichloro-4-(4-hydroxyphenoxy)phenol
CID 14591774
5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol
CID 23656591
4-chloro-2,5-di(propan-2-yloxy)phenol
CID 82267991
2-chloro-4-(3-chloro-4-hydroxynaphthalen-1-yl)oxynaphthalen-1-ol
CID 21256239
2-(2,4-dichlorophenoxy)-5-ethylphenol
CID 25023958
5-chloro-6-(4-chloro-2-hydroxyphenoxy)-1,3-dihydrobenzimidazole-2-thione
CID 58710218
5-chloro-2-(2,4-dichlorophenoxy)phenol;2-methylprop-2-enoic acid
CID 67533473
5-chloro-2-(2,4-dichlorophenoxy)-4-(1,3,4-thiadiazol-2-yl)phenol
CID 135524059

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(4,5-dichloro-2-hydroxyphenoxy)phenol?
The IUPAC name of 4,5-dichloro-2-(4,5-dichloro-2-hydroxyphenoxy)phenol (CID 100954533) is 4,5-dichloro-2-(4,5-dichloro-2-hydroxyphenoxy)phenol.
What is the SMILES notation for 4,5-dichloro-2-(4,5-dichloro-2-hydroxyphenoxy)phenol?
The canonical SMILES for 4,5-dichloro-2-(4,5-dichloro-2-hydroxyphenoxy)phenol is Oc1cc(Cl)c(Cl)cc1Oc1cc(Cl)c(Cl)cc1O.
What is the InChIKey of 4,5-dichloro-2-(4,5-dichloro-2-hydroxyphenoxy)phenol?
The InChIKey is PAICNNYXQXWSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl4O3/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4,17-18H.
What are the key properties of 4,5-dichloro-2-(4,5-dichloro-2-hydroxyphenoxy)phenol?
4,5-dichloro-2-(4,5-dichloro-2-hydroxyphenoxy)phenol has a molecular weight of 339.99 g/mol, XLogP of 5.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(4,5-dichloro-2-hydroxyphenoxy)phenol is sourced from PubChem (CID 100954533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).