2,4-dichloro-6-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenol

C15H8Cl4N2O — CID 3807261

IUPAC2,4-dichloro-6-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenol
SMILESOc1c(Cl)cc(Cl)cc1-c1cc(-c2ccc(Cl)cc2Cl)[nH]n1
InChIInChI=1S/C15H8Cl4N2O/c16-7-1-2-9(11(18)4-7)13-6-14(21-20-13)10-3-8(17)5-12(19)15(10)22/h1-6,22H,(H,20,21)
InChIKeyXBRORZXUXLMORZ-UHFFFAOYSA-N
MW374.05 g/mol
LogP6.06
Rot. Bonds2

About 2,4-dichloro-6-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenol

2,4-dichloro-6-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenol (PubChem CID 3807261) has the molecular formula C15H8Cl4N2O and a molecular weight of 374.05 g/mol. Its IUPAC name is 2,4-dichloro-6-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenol
PubChem CID3807261
Molecular FormulaC15H8Cl4N2O
Molecular Weight374.05 g/mol
Exact Mass371.94
IUPAC Name2,4-dichloro-6-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenol
SMILESOc1c(Cl)cc(Cl)cc1-c1cc(-c2ccc(Cl)cc2Cl)[nH]n1
InChIInChI=1S/C15H8Cl4N2O/c16-7-1-2-9(11(18)4-7)13-6-14(21-20-13)10-3-8(17)5-12(19)15(10)22/h1-6,22H,(H,20,21)
InChIKeyXBRORZXUXLMORZ-UHFFFAOYSA-N
XLogP6.06
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.05
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 2,4-dichloro-6-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenol (CID 3807261) is 2,4-dichloro-6-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 2,4-dichloro-6-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenol is Oc1c(Cl)cc(Cl)cc1-c1cc(-c2ccc(Cl)cc2Cl)[nH]n1.
What is the InChIKey of 2,4-dichloro-6-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is XBRORZXUXLMORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl4N2O/c16-7-1-2-9(11(18)4-7)13-6-14(21-20-13)10-3-8(17)5-12(19)15(10)22/h1-6,22H,(H,20,21).
What are the key properties of 2,4-dichloro-6-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenol?
2,4-dichloro-6-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 374.05 g/mol, XLogP of 6.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 3807261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).