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

C12H7Cl3O2 — CID 5564

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IUPAC5-chloro-2-(2,4-dichlorophenoxy)phenol
SMILESOc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
InChIKeyXEFQLINVKFYRCS-UHFFFAOYSA-N
MW289.55 g/mol
LogP5.14
Rot. Bonds2

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

5-chloro-2-(2,4-dichlorophenoxy)phenol (PubChem CID 5564) has the molecular formula C12H7Cl3O2 and a molecular weight of 289.55 g/mol. Its IUPAC name is 5-chloro-2-(2,4-dichlorophenoxy)phenol.

Molecular Properties

Compound Name5-chloro-2-(2,4-dichlorophenoxy)phenol
PubChem CID5564
Molecular FormulaC12H7Cl3O2
Molecular Weight289.55 g/mol
Exact Mass287.95
IUPAC Name5-chloro-2-(2,4-dichlorophenoxy)phenol
SMILESOc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
InChIKeyXEFQLINVKFYRCS-UHFFFAOYSA-N
XLogP5.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.55
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,7,8-Tetrachlorodibenzo-P-dioxin
CID 39732
1,7,8-Trichlorodibenzo-P-dioxin
CID 115206
1,3,6,8-Tetrachlorodibenzo-p-dioxin
CID 36474
1,3,7,9-Tetrachlorodibenzo-P-dioxin
CID 44069
Bis(2,4-dichlorophenyl)ether
CID 34140
1-Chlorodibenzo-P-dioxin
CID 37207
1,2,4-Trichlorodibenzo(b,e)(1,4)dioxin
CID 38253
Methyl triclosan
CID 627458
1,2,3,8-Tetrachlorodibenzo-P-dioxin
CID 40811
1,3,7-Trichlorodibenzo-p-dioxin
CID 48888
1,2,3,8,9-Pentachlorodibenzo-p-dioxin
CID 51457
Soneclosan
CID 18807

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,4-dichlorophenoxy)phenol?
The IUPAC name of 5-chloro-2-(2,4-dichlorophenoxy)phenol (CID 5564) is 5-chloro-2-(2,4-dichlorophenoxy)phenol.
What is the SMILES notation for 5-chloro-2-(2,4-dichlorophenoxy)phenol?
The canonical SMILES for 5-chloro-2-(2,4-dichlorophenoxy)phenol is Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-chloro-2-(2,4-dichlorophenoxy)phenol?
The InChIKey is XEFQLINVKFYRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H.
What are the key properties of 5-chloro-2-(2,4-dichlorophenoxy)phenol?
5-chloro-2-(2,4-dichlorophenoxy)phenol has a molecular weight of 289.55 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,4-dichlorophenoxy)phenol is sourced from PubChem (CID 5564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).