2,4-dichloro-6-(3-phenyl-1H-pyrazol-5-yl)phenol

C15H10Cl2N2O — CID 137234781

IUPAC2,4-dichloro-6-(3-phenyl-1H-pyrazol-5-yl)phenol
SMILESOc1c(Cl)cc(Cl)cc1-c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H10Cl2N2O/c16-10-6-11(15(20)12(17)7-10)14-8-13(18-19-14)9-4-2-1-3-5-9/h1-8,20H,(H,18,19)
InChIKeyWXNWRGVGTLGCDQ-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.76
Rot. Bonds2

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

2,4-dichloro-6-(3-phenyl-1H-pyrazol-5-yl)phenol (PubChem CID 137234781) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 2,4-dichloro-6-(3-phenyl-1H-pyrazol-5-yl)phenol.

Molecular Properties

Compound Name2,4-dichloro-6-(3-phenyl-1H-pyrazol-5-yl)phenol
PubChem CID137234781
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name2,4-dichloro-6-(3-phenyl-1H-pyrazol-5-yl)phenol
SMILESOc1c(Cl)cc(Cl)cc1-c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H10Cl2N2O/c16-10-6-11(15(20)12(17)7-10)14-8-13(18-19-14)9-4-2-1-3-5-9/h1-8,20H,(H,18,19)
InChIKeyWXNWRGVGTLGCDQ-UHFFFAOYSA-N
XLogP4.76
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.76
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-(3-phenyl-1H-pyrazol-5-yl)phenol?
The IUPAC name of 2,4-dichloro-6-(3-phenyl-1H-pyrazol-5-yl)phenol (CID 137234781) is 2,4-dichloro-6-(3-phenyl-1H-pyrazol-5-yl)phenol.
What is the SMILES notation for 2,4-dichloro-6-(3-phenyl-1H-pyrazol-5-yl)phenol?
The canonical SMILES for 2,4-dichloro-6-(3-phenyl-1H-pyrazol-5-yl)phenol is Oc1c(Cl)cc(Cl)cc1-c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 2,4-dichloro-6-(3-phenyl-1H-pyrazol-5-yl)phenol?
The InChIKey is WXNWRGVGTLGCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-10-6-11(15(20)12(17)7-10)14-8-13(18-19-14)9-4-2-1-3-5-9/h1-8,20H,(H,18,19).
What are the key properties of 2,4-dichloro-6-(3-phenyl-1H-pyrazol-5-yl)phenol?
2,4-dichloro-6-(3-phenyl-1H-pyrazol-5-yl)phenol has a molecular weight of 305.16 g/mol, XLogP of 4.76, 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-(3-phenyl-1H-pyrazol-5-yl)phenol is sourced from PubChem (CID 137234781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).