2-[(4-chlorophenyl)methyl]-6-(4-methoxy-2-phosphanylphenyl)pyridazin-3-one

C18H16ClN2O2P — CID 170317514

IUPAC2-[(4-chlorophenyl)methyl]-6-(4-methoxy-2-phosphanylphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)n2)c(P)c1
InChIInChI=1S/C18H16ClN2O2P/c1-23-14-6-7-15(17(24)10-14)16-8-9-18(22)21(20-16)11-12-2-4-13(19)5-3-12/h2-10H,11,24H2,1H3
InChIKeySKLGNAYSVSFIEX-UHFFFAOYSA-N
MW358.77 g/mol
LogP3.12
Rot. Bonds4

About 2-[(4-chlorophenyl)methyl]-6-(4-methoxy-2-phosphanylphenyl)pyridazin-3-one

2-[(4-chlorophenyl)methyl]-6-(4-methoxy-2-phosphanylphenyl)pyridazin-3-one (PubChem CID 170317514) has the molecular formula C18H16ClN2O2P and a molecular weight of 358.77 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-6-(4-methoxy-2-phosphanylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-6-(4-methoxy-2-phosphanylphenyl)pyridazin-3-one
PubChem CID170317514
Molecular FormulaC18H16ClN2O2P
Molecular Weight358.77 g/mol
Exact Mass358.06
IUPAC Name2-[(4-chlorophenyl)methyl]-6-(4-methoxy-2-phosphanylphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)n2)c(P)c1
InChIInChI=1S/C18H16ClN2O2P/c1-23-14-6-7-15(17(24)10-14)16-8-9-18(22)21(20-16)11-12-2-4-13(19)5-3-12/h2-10H,11,24H2,1H3
InChIKeySKLGNAYSVSFIEX-UHFFFAOYSA-N
XLogP3.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.77
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-6-(4-methoxy-2-phosphanylphenyl)pyridazin-3-one?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-6-(4-methoxy-2-phosphanylphenyl)pyridazin-3-one (CID 170317514) is 2-[(4-chlorophenyl)methyl]-6-(4-methoxy-2-phosphanylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-6-(4-methoxy-2-phosphanylphenyl)pyridazin-3-one?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-6-(4-methoxy-2-phosphanylphenyl)pyridazin-3-one is COc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)n2)c(P)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-6-(4-methoxy-2-phosphanylphenyl)pyridazin-3-one?
The InChIKey is SKLGNAYSVSFIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN2O2P/c1-23-14-6-7-15(17(24)10-14)16-8-9-18(22)21(20-16)11-12-2-4-13(19)5-3-12/h2-10H,11,24H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-6-(4-methoxy-2-phosphanylphenyl)pyridazin-3-one?
2-[(4-chlorophenyl)methyl]-6-(4-methoxy-2-phosphanylphenyl)pyridazin-3-one has a molecular weight of 358.77 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-6-(4-methoxy-2-phosphanylphenyl)pyridazin-3-one is sourced from PubChem (CID 170317514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).