methyl 2-[bis(2-methylphenyl)phosphanylmethyl]benzoate

C23H23O2P — CID 18962660

IUPACmethyl 2-[bis(2-methylphenyl)phosphanylmethyl]benzoate
SMILESCOC(=O)c1ccccc1CP(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C23H23O2P/c1-17-10-4-8-14-21(17)26(22-15-9-5-11-18(22)2)16-19-12-6-7-13-20(19)23(24)25-3/h4-15H,16H2,1-3H3
InChIKeyUYLOOMPYGLKFFZ-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.72
Rot. Bonds5

About methyl 2-[bis(2-methylphenyl)phosphanylmethyl]benzoate

methyl 2-[bis(2-methylphenyl)phosphanylmethyl]benzoate (PubChem CID 18962660) has the molecular formula C23H23O2P and a molecular weight of 362.41 g/mol. Its IUPAC name is methyl 2-[bis(2-methylphenyl)phosphanylmethyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[bis(2-methylphenyl)phosphanylmethyl]benzoate
PubChem CID18962660
Molecular FormulaC23H23O2P
Molecular Weight362.41 g/mol
Exact Mass362.14
IUPAC Namemethyl 2-[bis(2-methylphenyl)phosphanylmethyl]benzoate
SMILESCOC(=O)c1ccccc1CP(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C23H23O2P/c1-17-10-4-8-14-21(17)26(22-15-9-5-11-18(22)2)16-19-12-6-7-13-20(19)23(24)25-3/h4-15H,16H2,1-3H3
InChIKeyUYLOOMPYGLKFFZ-UHFFFAOYSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-(2-methylphenyl)ethyl]benzoate
CID 118040129
methyl 2-[[2-(2-methylbenzoyl)phenyl]methyl]benzoate
CID 10545389
methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352
methane;methyl 2-propylbenzoate
CID 167647144
ethane;methyl 2-(bromomethyl)benzoate
CID 90979154
ethane;methyl 2-(bromomethyl)benzoate
CID 90986523
ethane;methane;methyl 2-methylbenzoate
CID 168902289
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-(methylsulfanylmethyl)benzoate
CID 22072820
methyl 2-[5-(2-methoxycarbonylphenyl)-3-oxopentyl]benzoate
CID 19922194
methyl 2-[(2,5-dimethylpyrrol-1-yl)methyl]benzoate
CID 92670407
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666

Frequently Asked Questions

What is the IUPAC name of methyl 2-[bis(2-methylphenyl)phosphanylmethyl]benzoate?
The IUPAC name of methyl 2-[bis(2-methylphenyl)phosphanylmethyl]benzoate (CID 18962660) is methyl 2-[bis(2-methylphenyl)phosphanylmethyl]benzoate.
What is the SMILES notation for methyl 2-[bis(2-methylphenyl)phosphanylmethyl]benzoate?
The canonical SMILES for methyl 2-[bis(2-methylphenyl)phosphanylmethyl]benzoate is COC(=O)c1ccccc1CP(c1ccccc1C)c1ccccc1C.
What is the InChIKey of methyl 2-[bis(2-methylphenyl)phosphanylmethyl]benzoate?
The InChIKey is UYLOOMPYGLKFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23O2P/c1-17-10-4-8-14-21(17)26(22-15-9-5-11-18(22)2)16-19-12-6-7-13-20(19)23(24)25-3/h4-15H,16H2,1-3H3.
What are the key properties of methyl 2-[bis(2-methylphenyl)phosphanylmethyl]benzoate?
methyl 2-[bis(2-methylphenyl)phosphanylmethyl]benzoate has a molecular weight of 362.41 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[bis(2-methylphenyl)phosphanylmethyl]benzoate is sourced from PubChem (CID 18962660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).