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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Related Compounds

2,4-dichloro-6-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenol
CID 3807261
4-(3-phenyl-1H-pyrazol-5-yl)benzene-1,3-diol
CID 165349961
2-(3-phenyl-1H-pyrazol-5-yl)benzene-1,4-diol
CID 137186634
4,5-dimethyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol
CID 135465890
5-(2,4-dichlorophenyl)-3-phenyl-1H-pyrazol-4-ol
CID 170556882
2,4-dichloro-6-(1H-indol-2-yl)phenol
CID 142650101
3-chloro-2-(3-phenyl-1H-pyrazol-5-yl)benzoic acid
CID 135133043
3-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]benzoic acid
CID 141357492
4-chloro-2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol
CID 685709
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane
CID 145310067
4-hydroxy-3-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 135412754
3-(3-chlorophenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 42585238

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).