5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol

C14H13Cl3O3 — CID 67724550

IUPAC5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol
SMILESCCO.Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl3O2.C2H6O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;1-2-3/h1-6,16H;3H,2H2,1H3
InChIKeyDDAMEQUPNHQFRL-UHFFFAOYSA-N
MW335.61 g/mol
LogP5.14
Rot. Bonds2

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

5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol (PubChem CID 67724550) has the molecular formula C14H13Cl3O3 and a molecular weight of 335.61 g/mol. Its IUPAC name is 5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol.

Molecular Properties

Compound Name5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol
PubChem CID67724550
Molecular FormulaC14H13Cl3O3
Molecular Weight335.61 g/mol
Exact Mass333.99
IUPAC Name5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol
SMILESCCO.Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl3O2.C2H6O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;1-2-3/h1-6,16H;3H,2H2,1H3
InChIKeyDDAMEQUPNHQFRL-UHFFFAOYSA-N
XLogP5.14
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.61
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-5-ethylphenol
CID 25023958
5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
CID 87201530
5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
CID 66601504
1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]propan-1-one
CID 71733548
5-butyl-2-(2,4-dichlorophenoxy)phenol
CID 25023960
5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol
CID 23656591
5-chloro-2-(2,4-dichlorophenoxy)phenol;2-methylprop-2-enoic acid
CID 67533473
5-chloro-2-(2,4-dichlorophenoxy)phenol;1-hexadecylpyridin-1-ium;chloride
CID 67467806
1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one
CID 112677568
2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]ethanol
CID 172641394
2-butyl-1-carbamimidoylguanidine;5-chloro-2-(2,4-dichlorophenoxy)phenol;hydrochloride
CID 176541548
5-chloro-6-(4-chloro-2-hydroxyphenoxy)-1,3-dihydrobenzimidazole-2-thione
CID 58710218

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol?
The IUPAC name of 5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol (CID 67724550) is 5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol.
What is the SMILES notation for 5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol?
The canonical SMILES for 5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol is CCO.Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol?
The InChIKey is DDAMEQUPNHQFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3O2.C2H6O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;1-2-3/h1-6,16H;3H,2H2,1H3.
What are the key properties of 5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol?
5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol has a molecular weight of 335.61 g/mol, XLogP of 5.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol is sourced from PubChem (CID 67724550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).