2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]ethanol

C14H11Cl3O3 — CID 172641394

IUPAC2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]ethanol
SMILESOCCOc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl3O3/c15-9-1-3-12(11(17)7-9)20-13-4-2-10(16)8-14(13)19-6-5-18/h1-4,7-8,18H,5-6H2
InChIKeyURWHEVKXZLYYSE-UHFFFAOYSA-N
MW333.60 g/mol
LogP4.81
Rot. Bonds5

About 2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]ethanol

2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]ethanol (PubChem CID 172641394) has the molecular formula C14H11Cl3O3 and a molecular weight of 333.60 g/mol. Its IUPAC name is 2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]ethanol.

Molecular Properties

Compound Name2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]ethanol
PubChem CID172641394
Molecular FormulaC14H11Cl3O3
Molecular Weight333.60 g/mol
Exact Mass331.98
IUPAC Name2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]ethanol
SMILESOCCOc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl3O3/c15-9-1-3-12(11(17)7-9)20-13-4-2-10(16)8-14(13)19-6-5-18/h1-4,7-8,18H,5-6H2
InChIKeyURWHEVKXZLYYSE-UHFFFAOYSA-N
XLogP4.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.60
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-bromo-4-chlorophenoxy)hexan-1-ol
CID 103801828
6-(2,4-dichlorophenoxy)hexyl-(2-hydroxyethyl)azanium
CID 2247482
5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol
CID 67724550
6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390
2-(4-bromo-2-chlorophenoxy)ethanol
CID 23090761
2-(2,4,5-trichlorophenoxy)ethanol
CID 87745106
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
bis[2-(2,4-dichlorophenoxy)ethyl]-trihydroxy-λ5-phosphane
CID 67683107
(2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid
CID 124566804
tris[2-(2,4-dichlorophenoxy)ethyl]azanium
CID 2317161
2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid
CID 13409359
2-[3-(2,5-dichlorophenoxy)propylamino]ethanol
CID 2865584

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]ethanol?
The IUPAC name of 2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]ethanol (CID 172641394) is 2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]ethanol.
What is the SMILES notation for 2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]ethanol?
The canonical SMILES for 2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]ethanol is OCCOc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]ethanol?
The InChIKey is URWHEVKXZLYYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3O3/c15-9-1-3-12(11(17)7-9)20-13-4-2-10(16)8-14(13)19-6-5-18/h1-4,7-8,18H,5-6H2.
What are the key properties of 2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]ethanol?
2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]ethanol has a molecular weight of 333.60 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]ethanol is sourced from PubChem (CID 172641394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).