2,4-dimethyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol

C19H19N2OP — CID 76558442

IUPAC2,4-dimethyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol
SMILESCc1cc(C)c(O)c(Pc2ccccc2C=Nn2cccc2)c1
InChIInChI=1S/C19H19N2OP/c1-14-11-15(2)19(22)18(12-14)23-17-8-4-3-7-16(17)13-20-21-9-5-6-10-21/h3-13,22-23H,1-2H3
InChIKeyLZKCPMGZVVQHLU-UHFFFAOYSA-N
MW322.35 g/mol
LogP3.32
Rot. Bonds4

About 2,4-dimethyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol

2,4-dimethyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol (PubChem CID 76558442) has the molecular formula C19H19N2OP and a molecular weight of 322.35 g/mol. Its IUPAC name is 2,4-dimethyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol.

Molecular Properties

Compound Name2,4-dimethyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol
PubChem CID76558442
Molecular FormulaC19H19N2OP
Molecular Weight322.35 g/mol
Exact Mass322.12
IUPAC Name2,4-dimethyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol
SMILESCc1cc(C)c(O)c(Pc2ccccc2C=Nn2cccc2)c1
InChIInChI=1S/C19H19N2OP/c1-14-11-15(2)19(22)18(12-14)23-17-8-4-3-7-16(17)13-20-21-9-5-6-10-21/h3-13,22-23H,1-2H3
InChIKeyLZKCPMGZVVQHLU-UHFFFAOYSA-N
XLogP3.32
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol?
The IUPAC name of 2,4-dimethyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol (CID 76558442) is 2,4-dimethyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol.
What is the SMILES notation for 2,4-dimethyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol?
The canonical SMILES for 2,4-dimethyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol is Cc1cc(C)c(O)c(Pc2ccccc2C=Nn2cccc2)c1.
What is the InChIKey of 2,4-dimethyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol?
The InChIKey is LZKCPMGZVVQHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N2OP/c1-14-11-15(2)19(22)18(12-14)23-17-8-4-3-7-16(17)13-20-21-9-5-6-10-21/h3-13,22-23H,1-2H3.
What are the key properties of 2,4-dimethyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol?
2,4-dimethyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol has a molecular weight of 322.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol is sourced from PubChem (CID 76558442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).