5-chloro-2-(2,4-dichlorophenoxy)-4-(1,3,4-thiadiazol-2-yl)phenol

C14H7Cl3N2O2S — CID 135524059

IUPAC5-chloro-2-(2,4-dichlorophenoxy)-4-(1,3,4-thiadiazol-2-yl)phenol
SMILESOc1cc(Cl)c(-c2nncs2)cc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H7Cl3N2O2S/c15-7-1-2-12(10(17)3-7)21-13-4-8(9(16)5-11(13)20)14-19-18-6-22-14/h1-6,20H
InChIKeyHXVWAZUCVIPFMX-UHFFFAOYSA-N
MW373.65 g/mol
LogP5.66
Rot. Bonds3

About 5-chloro-2-(2,4-dichlorophenoxy)-4-(1,3,4-thiadiazol-2-yl)phenol

5-chloro-2-(2,4-dichlorophenoxy)-4-(1,3,4-thiadiazol-2-yl)phenol (PubChem CID 135524059) has the molecular formula C14H7Cl3N2O2S and a molecular weight of 373.65 g/mol. Its IUPAC name is 5-chloro-2-(2,4-dichlorophenoxy)-4-(1,3,4-thiadiazol-2-yl)phenol.

Molecular Properties

Compound Name5-chloro-2-(2,4-dichlorophenoxy)-4-(1,3,4-thiadiazol-2-yl)phenol
PubChem CID135524059
Molecular FormulaC14H7Cl3N2O2S
Molecular Weight373.65 g/mol
Exact Mass371.93
IUPAC Name5-chloro-2-(2,4-dichlorophenoxy)-4-(1,3,4-thiadiazol-2-yl)phenol
SMILESOc1cc(Cl)c(-c2nncs2)cc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H7Cl3N2O2S/c15-7-1-2-12(10(17)3-7)21-13-4-8(9(16)5-11(13)20)14-19-18-6-22-14/h1-6,20H
InChIKeyHXVWAZUCVIPFMX-UHFFFAOYSA-N
XLogP5.66
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.65
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
CID 87201530
5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
CID 66601504
5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol
CID 67724550
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-chloro-2-(2,4-dichlorophenoxy)phenol;2-methylprop-2-enoic acid
CID 67533473
4,5-dichloro-2-(4,5-dichloro-2-hydroxyphenoxy)phenol
CID 100954533
3-chloro-6-(2,4-dichlorophenoxy)-2-(difluoromethyl)phenol
CID 86576202
5-butyl-2-(2,4-dichlorophenoxy)phenol
CID 25023960
3-amino-4-(2,4-dichlorophenoxy)benzamide
CID 43448525
3,5-dichloro-4-(3,5-dichloro-2-hydroxyphenyl)-2-(2,4-dichlorophenoxy)phenol
CID 156582793

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,4-dichlorophenoxy)-4-(1,3,4-thiadiazol-2-yl)phenol?
The IUPAC name of 5-chloro-2-(2,4-dichlorophenoxy)-4-(1,3,4-thiadiazol-2-yl)phenol (CID 135524059) is 5-chloro-2-(2,4-dichlorophenoxy)-4-(1,3,4-thiadiazol-2-yl)phenol.
What is the SMILES notation for 5-chloro-2-(2,4-dichlorophenoxy)-4-(1,3,4-thiadiazol-2-yl)phenol?
The canonical SMILES for 5-chloro-2-(2,4-dichlorophenoxy)-4-(1,3,4-thiadiazol-2-yl)phenol is Oc1cc(Cl)c(-c2nncs2)cc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-chloro-2-(2,4-dichlorophenoxy)-4-(1,3,4-thiadiazol-2-yl)phenol?
The InChIKey is HXVWAZUCVIPFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3N2O2S/c15-7-1-2-12(10(17)3-7)21-13-4-8(9(16)5-11(13)20)14-19-18-6-22-14/h1-6,20H.
What are the key properties of 5-chloro-2-(2,4-dichlorophenoxy)-4-(1,3,4-thiadiazol-2-yl)phenol?
5-chloro-2-(2,4-dichlorophenoxy)-4-(1,3,4-thiadiazol-2-yl)phenol has a molecular weight of 373.65 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,4-dichlorophenoxy)-4-(1,3,4-thiadiazol-2-yl)phenol is sourced from PubChem (CID 135524059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).