5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid

C12H10Cl3O6P — CID 66601504

IUPAC5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
SMILESO=P(O)(O)O.Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl3O2.H3O4P/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;1-5(2,3)4/h1-6,16H;(H3,1,2,3,4)
InChIKeyNCMKBJMWDBHDFG-UHFFFAOYSA-N
MW387.54 g/mol
LogP4.22
Rot. Bonds2

About 5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid

5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid (PubChem CID 66601504) has the molecular formula C12H10Cl3O6P and a molecular weight of 387.54 g/mol. Its IUPAC name is 5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid.

Molecular Properties

Compound Name5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
PubChem CID66601504
Molecular FormulaC12H10Cl3O6P
Molecular Weight387.54 g/mol
Exact Mass385.93
IUPAC Name5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
SMILESO=P(O)(O)O.Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl3O2.H3O4P/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;1-5(2,3)4/h1-6,16H;(H3,1,2,3,4)
InChIKeyNCMKBJMWDBHDFG-UHFFFAOYSA-N
XLogP4.22
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.54
LogP ≤ 54.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
CID 87201530
5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol
CID 67724550
5-chloro-2-(2,4-dichlorophenoxy)phenol;2-methylprop-2-enoic acid
CID 67533473
5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol
CID 23656591
2-(2,4-dichlorophenoxy)-5-ethylphenol
CID 25023958
1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]propan-1-one
CID 71733548
5-butyl-2-(2,4-dichlorophenoxy)phenol
CID 25023960
5-chloro-6-(4-chloro-2-hydroxyphenoxy)-1,3-dihydrobenzimidazole-2-thione
CID 58710218
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]ethanone
CID 63532509
2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid
CID 13409359
2-(2,4-dichlorophenoxy)benzenesulfonamide
CID 2805105
5-chloro-2-(2,4-dichlorophenoxy)phenol;1-hexadecylpyridin-1-ium;chloride
CID 67467806

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid?
The IUPAC name of 5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid (CID 66601504) is 5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid.
What is the SMILES notation for 5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid?
The canonical SMILES for 5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid is O=P(O)(O)O.Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid?
The InChIKey is NCMKBJMWDBHDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3O2.H3O4P/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;1-5(2,3)4/h1-6,16H;(H3,1,2,3,4).
What are the key properties of 5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid?
5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid has a molecular weight of 387.54 g/mol, XLogP of 4.22, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid is sourced from PubChem (CID 66601504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).