methyl 2-[[4-(dimethylamino)phenyl]-phenylphosphanyl]benzoate

C22H22NO2P — CID 102464983

IUPACmethyl 2-[[4-(dimethylamino)phenyl]-phenylphosphanyl]benzoate
SMILESCOC(=O)c1ccccc1P(c1ccccc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C22H22NO2P/c1-23(2)17-13-15-19(16-14-17)26(18-9-5-4-6-10-18)21-12-8-7-11-20(21)22(24)25-3/h4-16H,1-3H3
InChIKeyQIAFVKKQQTXINU-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.30
Rot. Bonds5

About methyl 2-[[4-(dimethylamino)phenyl]-phenylphosphanyl]benzoate

methyl 2-[[4-(dimethylamino)phenyl]-phenylphosphanyl]benzoate (PubChem CID 102464983) has the molecular formula C22H22NO2P and a molecular weight of 363.40 g/mol. Its IUPAC name is methyl 2-[[4-(dimethylamino)phenyl]-phenylphosphanyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-(dimethylamino)phenyl]-phenylphosphanyl]benzoate
PubChem CID102464983
Molecular FormulaC22H22NO2P
Molecular Weight363.40 g/mol
Exact Mass363.14
IUPAC Namemethyl 2-[[4-(dimethylamino)phenyl]-phenylphosphanyl]benzoate
SMILESCOC(=O)c1ccccc1P(c1ccccc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C22H22NO2P/c1-23(2)17-13-15-19(16-14-17)26(18-9-5-4-6-10-18)21-12-8-7-11-20(21)22(24)25-3/h4-16H,1-3H3
InChIKeyQIAFVKKQQTXINU-UHFFFAOYSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-diphenylphosphanylphenyl)-dimethylgermyl]-N,N-dimethylaniline
CID 177499264
butyl 2-diphenylphosphanylbenzoate
CID 87329990
chloro-(2-methoxycarbonylphenyl)phosphinous acid
CID 143798866
1-(2-diphenylphosphanylphenyl)propane-1,2-dione;rhodium
CID 175984938
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride
CID 10190846
1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one
CID 146507667
2-O-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504869
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-[(2-methoxycarbonylphenoxy)-phenylphosphanyl]oxybenzoate
CID 12930619
2-diphenylphosphanyl-N-[2-[(2-diphenylphosphanylbenzoyl)amino]phenyl]benzamide
CID 5242066
N,N-dimethylacetamide;triphenylphosphane
CID 88649560

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(dimethylamino)phenyl]-phenylphosphanyl]benzoate?
The IUPAC name of methyl 2-[[4-(dimethylamino)phenyl]-phenylphosphanyl]benzoate (CID 102464983) is methyl 2-[[4-(dimethylamino)phenyl]-phenylphosphanyl]benzoate.
What is the SMILES notation for methyl 2-[[4-(dimethylamino)phenyl]-phenylphosphanyl]benzoate?
The canonical SMILES for methyl 2-[[4-(dimethylamino)phenyl]-phenylphosphanyl]benzoate is COC(=O)c1ccccc1P(c1ccccc1)c1ccc(N(C)C)cc1.
What is the InChIKey of methyl 2-[[4-(dimethylamino)phenyl]-phenylphosphanyl]benzoate?
The InChIKey is QIAFVKKQQTXINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22NO2P/c1-23(2)17-13-15-19(16-14-17)26(18-9-5-4-6-10-18)21-12-8-7-11-20(21)22(24)25-3/h4-16H,1-3H3.
What are the key properties of methyl 2-[[4-(dimethylamino)phenyl]-phenylphosphanyl]benzoate?
methyl 2-[[4-(dimethylamino)phenyl]-phenylphosphanyl]benzoate has a molecular weight of 363.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(dimethylamino)phenyl]-phenylphosphanyl]benzoate is sourced from PubChem (CID 102464983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).