3-diethoxyphosphoryl-4-methyl-2-phenyl-1H-pyrrole

C15H20NO3P — CID 132524949

IUPAC3-diethoxyphosphoryl-4-methyl-2-phenyl-1H-pyrrole
SMILESCCOP(=O)(OCC)c1c(C)c[nH]c1-c1ccccc1
InChIInChI=1S/C15H20NO3P/c1-4-18-20(17,19-5-2)15-12(3)11-16-14(15)13-9-7-6-8-10-13/h6-11,16H,4-5H2,1-3H3
InChIKeyCGKQAQPYGUCQAM-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.88
Rot. Bonds6

About 3-diethoxyphosphoryl-4-methyl-2-phenyl-1H-pyrrole

3-diethoxyphosphoryl-4-methyl-2-phenyl-1H-pyrrole (PubChem CID 132524949) has the molecular formula C15H20NO3P and a molecular weight of 293.30 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-4-methyl-2-phenyl-1H-pyrrole.

Molecular Properties

Compound Name3-diethoxyphosphoryl-4-methyl-2-phenyl-1H-pyrrole
PubChem CID132524949
Molecular FormulaC15H20NO3P
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Name3-diethoxyphosphoryl-4-methyl-2-phenyl-1H-pyrrole
SMILESCCOP(=O)(OCC)c1c(C)c[nH]c1-c1ccccc1
InChIInChI=1S/C15H20NO3P/c1-4-18-20(17,19-5-2)15-12(3)11-16-14(15)13-9-7-6-8-10-13/h6-11,16H,4-5H2,1-3H3
InChIKeyCGKQAQPYGUCQAM-UHFFFAOYSA-N
XLogP3.88
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-diethoxyphosphoryl-1-methoxy-4-methyl-3-phenylbenzene
CID 58067281
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
4-diethoxyphosphoryl-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 72947436
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
3-diethoxyphosphoryl-4-methyl-N-phenylfuran-2-amine
CID 15666219
1-diethoxyphosphoryl-4-methylnaphthalene
CID 122695096
3-diethoxyphosphoryl-4-phenylchromen-2-one
CID 102142153
4,5-diphenyl-1H-pyrazole;triethyl phosphate
CID 175485113
(Z)-2-diethoxyphosphoryl-1-ethoxy-2-phenylethenol
CID 134873610
1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene
CID 162415122
1-diethoxyphosphorylnaphthalen-2-ol
CID 15782261

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-4-methyl-2-phenyl-1H-pyrrole?
The IUPAC name of 3-diethoxyphosphoryl-4-methyl-2-phenyl-1H-pyrrole (CID 132524949) is 3-diethoxyphosphoryl-4-methyl-2-phenyl-1H-pyrrole.
What is the SMILES notation for 3-diethoxyphosphoryl-4-methyl-2-phenyl-1H-pyrrole?
The canonical SMILES for 3-diethoxyphosphoryl-4-methyl-2-phenyl-1H-pyrrole is CCOP(=O)(OCC)c1c(C)c[nH]c1-c1ccccc1.
What is the InChIKey of 3-diethoxyphosphoryl-4-methyl-2-phenyl-1H-pyrrole?
The InChIKey is CGKQAQPYGUCQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20NO3P/c1-4-18-20(17,19-5-2)15-12(3)11-16-14(15)13-9-7-6-8-10-13/h6-11,16H,4-5H2,1-3H3.
What are the key properties of 3-diethoxyphosphoryl-4-methyl-2-phenyl-1H-pyrrole?
3-diethoxyphosphoryl-4-methyl-2-phenyl-1H-pyrrole has a molecular weight of 293.30 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-4-methyl-2-phenyl-1H-pyrrole is sourced from PubChem (CID 132524949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).