1-(2-hydroxy-4-methoxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone

C18H16N2O3 — CID 692803

IUPAC1-(2-hydroxy-4-methoxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone
SMILESCOc1ccc(C(=O)Cc2cnn(-c3ccccc3)c2)c(O)c1
InChIInChI=1S/C18H16N2O3/c1-23-15-7-8-16(18(22)10-15)17(21)9-13-11-19-20(12-13)14-5-3-2-4-6-14/h2-8,10-12,22H,9H2,1H3
InChIKeyFVCLGIKIYIZQOE-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.01
Rot. Bonds5

About 1-(2-hydroxy-4-methoxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone

1-(2-hydroxy-4-methoxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone (PubChem CID 692803) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methoxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-4-methoxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone
PubChem CID692803
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name1-(2-hydroxy-4-methoxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone
SMILESCOc1ccc(C(=O)Cc2cnn(-c3ccccc3)c2)c(O)c1
InChIInChI=1S/C18H16N2O3/c1-23-15-7-8-16(18(22)10-15)17(21)9-13-11-19-20(12-13)14-5-3-2-4-6-14/h2-8,10-12,22H,9H2,1H3
InChIKeyFVCLGIKIYIZQOE-UHFFFAOYSA-N
XLogP3.01
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methoxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(2-hydroxy-4-methoxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone (CID 692803) is 1-(2-hydroxy-4-methoxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-4-methoxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(2-hydroxy-4-methoxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone is COc1ccc(C(=O)Cc2cnn(-c3ccccc3)c2)c(O)c1.
What is the InChIKey of 1-(2-hydroxy-4-methoxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone?
The InChIKey is FVCLGIKIYIZQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-23-15-7-8-16(18(22)10-15)17(21)9-13-11-19-20(12-13)14-5-3-2-4-6-14/h2-8,10-12,22H,9H2,1H3.
What are the key properties of 1-(2-hydroxy-4-methoxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone?
1-(2-hydroxy-4-methoxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone has a molecular weight of 308.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methoxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone is sourced from PubChem (CID 692803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).