4-[4-(hydroxymethyl)phenyl]-3-phenyl-1H-pyridazin-6-one

C17H14N2O2 — CID 101106354

IUPAC4-[4-(hydroxymethyl)phenyl]-3-phenyl-1H-pyridazin-6-one
SMILESO=c1cc(-c2ccc(CO)cc2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H14N2O2/c20-11-12-6-8-13(9-7-12)15-10-16(21)18-19-17(15)14-4-2-1-3-5-14/h1-10,20H,11H2,(H,18,21)
InChIKeyWCQSWAOPPIDIPV-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.60
Rot. Bonds3

About 4-[4-(hydroxymethyl)phenyl]-3-phenyl-1H-pyridazin-6-one

4-[4-(hydroxymethyl)phenyl]-3-phenyl-1H-pyridazin-6-one (PubChem CID 101106354) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)phenyl]-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)phenyl]-3-phenyl-1H-pyridazin-6-one
PubChem CID101106354
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name4-[4-(hydroxymethyl)phenyl]-3-phenyl-1H-pyridazin-6-one
SMILESO=c1cc(-c2ccc(CO)cc2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H14N2O2/c20-11-12-6-8-13(9-7-12)15-10-16(21)18-19-17(15)14-4-2-1-3-5-14/h1-10,20H,11H2,(H,18,21)
InChIKeyWCQSWAOPPIDIPV-UHFFFAOYSA-N
XLogP2.60
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)phenyl]-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 4-[4-(hydroxymethyl)phenyl]-3-phenyl-1H-pyridazin-6-one (CID 101106354) is 4-[4-(hydroxymethyl)phenyl]-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-(hydroxymethyl)phenyl]-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-(hydroxymethyl)phenyl]-3-phenyl-1H-pyridazin-6-one is O=c1cc(-c2ccc(CO)cc2)c(-c2ccccc2)n[nH]1.
What is the InChIKey of 4-[4-(hydroxymethyl)phenyl]-3-phenyl-1H-pyridazin-6-one?
The InChIKey is WCQSWAOPPIDIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-11-12-6-8-13(9-7-12)15-10-16(21)18-19-17(15)14-4-2-1-3-5-14/h1-10,20H,11H2,(H,18,21).
What are the key properties of 4-[4-(hydroxymethyl)phenyl]-3-phenyl-1H-pyridazin-6-one?
4-[4-(hydroxymethyl)phenyl]-3-phenyl-1H-pyridazin-6-one has a molecular weight of 278.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)phenyl]-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 101106354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).