2-[3-(5-chloro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-methoxyphenol

C16H13ClN2O3 — CID 155529438

IUPAC2-[3-(5-chloro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-methoxyphenol
SMILESCOc1ccc(O)c(-c2cc(-c3cc(Cl)ccc3O)n[nH]2)c1
InChIInChI=1S/C16H13ClN2O3/c1-22-10-3-5-16(21)12(7-10)14-8-13(18-19-14)11-6-9(17)2-4-15(11)20/h2-8,20-21H,1H3,(H,18,19)
InChIKeyKHQYIJPKWVQORP-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.82
Rot. Bonds3

About 2-[3-(5-chloro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-methoxyphenol

2-[3-(5-chloro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-methoxyphenol (PubChem CID 155529438) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is 2-[3-(5-chloro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[3-(5-chloro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-methoxyphenol
PubChem CID155529438
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name2-[3-(5-chloro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-methoxyphenol
SMILESCOc1ccc(O)c(-c2cc(-c3cc(Cl)ccc3O)n[nH]2)c1
InChIInChI=1S/C16H13ClN2O3/c1-22-10-3-5-16(21)12(7-10)14-8-13(18-19-14)11-6-9(17)2-4-15(11)20/h2-8,20-21H,1H3,(H,18,19)
InChIKeyKHQYIJPKWVQORP-UHFFFAOYSA-N
XLogP3.82
TPSA78.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chloro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-methoxyphenol?
The IUPAC name of 2-[3-(5-chloro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-methoxyphenol (CID 155529438) is 2-[3-(5-chloro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-methoxyphenol.
What is the SMILES notation for 2-[3-(5-chloro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-methoxyphenol?
The canonical SMILES for 2-[3-(5-chloro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-methoxyphenol is COc1ccc(O)c(-c2cc(-c3cc(Cl)ccc3O)n[nH]2)c1.
What is the InChIKey of 2-[3-(5-chloro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-methoxyphenol?
The InChIKey is KHQYIJPKWVQORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-22-10-3-5-16(21)12(7-10)14-8-13(18-19-14)11-6-9(17)2-4-15(11)20/h2-8,20-21H,1H3,(H,18,19).
What are the key properties of 2-[3-(5-chloro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-methoxyphenol?
2-[3-(5-chloro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-methoxyphenol has a molecular weight of 316.74 g/mol, XLogP of 3.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-chloro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-methoxyphenol is sourced from PubChem (CID 155529438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).