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

C12H13Cl3O10P2 — CID 87201530

IUPAC5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)O.Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl3O2.2H3O4P/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;2*1-5(2,3)4/h1-6,16H;2*(H3,1,2,3,4)
InChIKeyLUXHFCYVDASIQR-UHFFFAOYSA-N
MW485.53 g/mol
LogP3.29
Rot. Bonds2

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

5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid (PubChem CID 87201530) has the molecular formula C12H13Cl3O10P2 and a molecular weight of 485.53 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 CID87201530
Molecular FormulaC12H13Cl3O10P2
Molecular Weight485.53 g/mol
Exact Mass483.90
IUPAC Name5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)O.Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl3O2.2H3O4P/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;2*1-5(2,3)4/h1-6,16H;2*(H3,1,2,3,4)
InChIKeyLUXHFCYVDASIQR-UHFFFAOYSA-N
XLogP3.29
TPSA184.98 Ų
H-Bond Donors7
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.53
LogP ≤ 53.29
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 104

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 66601504
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 87201530) 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.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 LUXHFCYVDASIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3O2.2H3O4P/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;2*1-5(2,3)4/h1-6,16H;2*(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 485.53 g/mol, XLogP of 3.29, 2 rotatable bonds, 7 hydrogen bond donors, and 4 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 87201530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).