5-(2-hydroxyphenyl)-6-methyl-4-(2-phenylethyl)-2-propan-2-ylpyridazin-3-one

C22H24N2O2 — CID 16679677

IUPAC5-(2-hydroxyphenyl)-6-methyl-4-(2-phenylethyl)-2-propan-2-ylpyridazin-3-one
SMILESCc1nn(C(C)C)c(=O)c(CCc2ccccc2)c1-c1ccccc1O
InChIInChI=1S/C22H24N2O2/c1-15(2)24-22(26)19(14-13-17-9-5-4-6-10-17)21(16(3)23-24)18-11-7-8-12-20(18)25/h4-12,15,25H,13-14H2,1-3H3
InChIKeyVVCNFRRXHUMUTD-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.29
Rot. Bonds5

About 5-(2-hydroxyphenyl)-6-methyl-4-(2-phenylethyl)-2-propan-2-ylpyridazin-3-one

5-(2-hydroxyphenyl)-6-methyl-4-(2-phenylethyl)-2-propan-2-ylpyridazin-3-one (PubChem CID 16679677) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-(2-hydroxyphenyl)-6-methyl-4-(2-phenylethyl)-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name5-(2-hydroxyphenyl)-6-methyl-4-(2-phenylethyl)-2-propan-2-ylpyridazin-3-one
PubChem CID16679677
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name5-(2-hydroxyphenyl)-6-methyl-4-(2-phenylethyl)-2-propan-2-ylpyridazin-3-one
SMILESCc1nn(C(C)C)c(=O)c(CCc2ccccc2)c1-c1ccccc1O
InChIInChI=1S/C22H24N2O2/c1-15(2)24-22(26)19(14-13-17-9-5-4-6-10-17)21(16(3)23-24)18-11-7-8-12-20(18)25/h4-12,15,25H,13-14H2,1-3H3
InChIKeyVVCNFRRXHUMUTD-UHFFFAOYSA-N
XLogP4.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyphenyl)-6-methyl-4-(2-phenylethyl)-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 5-(2-hydroxyphenyl)-6-methyl-4-(2-phenylethyl)-2-propan-2-ylpyridazin-3-one (CID 16679677) is 5-(2-hydroxyphenyl)-6-methyl-4-(2-phenylethyl)-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 5-(2-hydroxyphenyl)-6-methyl-4-(2-phenylethyl)-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 5-(2-hydroxyphenyl)-6-methyl-4-(2-phenylethyl)-2-propan-2-ylpyridazin-3-one is Cc1nn(C(C)C)c(=O)c(CCc2ccccc2)c1-c1ccccc1O.
What is the InChIKey of 5-(2-hydroxyphenyl)-6-methyl-4-(2-phenylethyl)-2-propan-2-ylpyridazin-3-one?
The InChIKey is VVCNFRRXHUMUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15(2)24-22(26)19(14-13-17-9-5-4-6-10-17)21(16(3)23-24)18-11-7-8-12-20(18)25/h4-12,15,25H,13-14H2,1-3H3.
What are the key properties of 5-(2-hydroxyphenyl)-6-methyl-4-(2-phenylethyl)-2-propan-2-ylpyridazin-3-one?
5-(2-hydroxyphenyl)-6-methyl-4-(2-phenylethyl)-2-propan-2-ylpyridazin-3-one has a molecular weight of 348.45 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyphenyl)-6-methyl-4-(2-phenylethyl)-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 16679677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).