2,6-dichloro-4-[4-(5-ethyl-2,4-dimethylpyrazol-3-yl)oxyphenoxy]phenol

C19H18Cl2N2O3 — CID 15984878

IUPAC2,6-dichloro-4-[4-(5-ethyl-2,4-dimethylpyrazol-3-yl)oxyphenoxy]phenol
SMILESCCc1nn(C)c(Oc2ccc(Oc3cc(Cl)c(O)c(Cl)c3)cc2)c1C
InChIInChI=1S/C19H18Cl2N2O3/c1-4-17-11(2)19(23(3)22-17)26-13-7-5-12(6-8-13)25-14-9-15(20)18(24)16(21)10-14/h5-10,24H,4H2,1-3H3
InChIKeyJVHJWLFYHHFEMK-UHFFFAOYSA-N
MW393.27 g/mol
LogP5.89
Rot. Bonds5

About 2,6-dichloro-4-[4-(5-ethyl-2,4-dimethylpyrazol-3-yl)oxyphenoxy]phenol

2,6-dichloro-4-[4-(5-ethyl-2,4-dimethylpyrazol-3-yl)oxyphenoxy]phenol (PubChem CID 15984878) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 2,6-dichloro-4-[4-(5-ethyl-2,4-dimethylpyrazol-3-yl)oxyphenoxy]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[4-(5-ethyl-2,4-dimethylpyrazol-3-yl)oxyphenoxy]phenol
PubChem CID15984878
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name2,6-dichloro-4-[4-(5-ethyl-2,4-dimethylpyrazol-3-yl)oxyphenoxy]phenol
SMILESCCc1nn(C)c(Oc2ccc(Oc3cc(Cl)c(O)c(Cl)c3)cc2)c1C
InChIInChI=1S/C19H18Cl2N2O3/c1-4-17-11(2)19(23(3)22-17)26-13-7-5-12(6-8-13)25-14-9-15(20)18(24)16(21)10-14/h5-10,24H,4H2,1-3H3
InChIKeyJVHJWLFYHHFEMK-UHFFFAOYSA-N
XLogP5.89
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.27
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,6-dichloro-4-[4-(5-ethyl-2,4-dimethylpyrazol-3-yl)oxyphenoxy]phenol 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

4-[4-(2-tert-butyl-5-ethyl-4-methylpyrazol-3-yl)oxy-3,5-dichlorophenoxy]phenol
CID 15984881
4-[3-chloro-4-(5-ethyl-4-methyl-2-propan-2-ylpyrazol-3-yl)oxyphenoxy]phenol
CID 15984880
2,6-dichloro-4-(4-chlorophenoxy)phenol
CID 21278927
5-(4-chloro-3,5-dimethylphenoxy)-3-ethyl-1-methylpyrazol-4-amine
CID 66015672
1-tert-butyl-5-[2,6-dichloro-4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-3-ethyl-4-methylpyrazole
CID 15984812
[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 54898382
5-[4-(4-methoxyphenoxy)phenoxy]-1,3,4-trimethylpyrazole
CID 70868271
4-[4-(4-but-1-enyl-1,3-dimethylpyrazol-5-yl)oxyphenoxy]phenol
CID 76606768
[5-(3-chlorophenoxy)-4-ethyl-1-methylpyrazol-3-yl]methanol
CID 58907199
5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazole-4-carboxylic acid
CID 61000631
2-[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyphenyl]ethanol
CID 107709674
1,3,4-trimethyl-5-[4-[4-(3-methylbut-2-enoxy)phenoxy]phenoxy]pyrazole
CID 90881221

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[4-(5-ethyl-2,4-dimethylpyrazol-3-yl)oxyphenoxy]phenol?
The IUPAC name of 2,6-dichloro-4-[4-(5-ethyl-2,4-dimethylpyrazol-3-yl)oxyphenoxy]phenol (CID 15984878) is 2,6-dichloro-4-[4-(5-ethyl-2,4-dimethylpyrazol-3-yl)oxyphenoxy]phenol.
What is the SMILES notation for 2,6-dichloro-4-[4-(5-ethyl-2,4-dimethylpyrazol-3-yl)oxyphenoxy]phenol?
The canonical SMILES for 2,6-dichloro-4-[4-(5-ethyl-2,4-dimethylpyrazol-3-yl)oxyphenoxy]phenol is CCc1nn(C)c(Oc2ccc(Oc3cc(Cl)c(O)c(Cl)c3)cc2)c1C.
What is the InChIKey of 2,6-dichloro-4-[4-(5-ethyl-2,4-dimethylpyrazol-3-yl)oxyphenoxy]phenol?
The InChIKey is JVHJWLFYHHFEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c1-4-17-11(2)19(23(3)22-17)26-13-7-5-12(6-8-13)25-14-9-15(20)18(24)16(21)10-14/h5-10,24H,4H2,1-3H3.
What are the key properties of 2,6-dichloro-4-[4-(5-ethyl-2,4-dimethylpyrazol-3-yl)oxyphenoxy]phenol?
2,6-dichloro-4-[4-(5-ethyl-2,4-dimethylpyrazol-3-yl)oxyphenoxy]phenol has a molecular weight of 393.27 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[4-(5-ethyl-2,4-dimethylpyrazol-3-yl)oxyphenoxy]phenol is sourced from PubChem (CID 15984878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).