methyl 4-[[chloro(phenyl)phosphanyl]methyl]benzoate

C15H14ClO2P — CID 59729444

IUPACmethyl 4-[[chloro(phenyl)phosphanyl]methyl]benzoate
SMILESCOC(=O)c1ccc(CP(Cl)c2ccccc2)cc1
InChIInChI=1S/C15H14ClO2P/c1-18-15(17)13-9-7-12(8-10-13)11-19(16)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyRMEUKXVCIFSNJS-UHFFFAOYSA-N
MW292.70 g/mol
LogP3.93
Rot. Bonds4

About methyl 4-[[chloro(phenyl)phosphanyl]methyl]benzoate

methyl 4-[[chloro(phenyl)phosphanyl]methyl]benzoate (PubChem CID 59729444) has the molecular formula C15H14ClO2P and a molecular weight of 292.70 g/mol. Its IUPAC name is methyl 4-[[chloro(phenyl)phosphanyl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[chloro(phenyl)phosphanyl]methyl]benzoate
PubChem CID59729444
Molecular FormulaC15H14ClO2P
Molecular Weight292.70 g/mol
Exact Mass292.04
IUPAC Namemethyl 4-[[chloro(phenyl)phosphanyl]methyl]benzoate
SMILESCOC(=O)c1ccc(CP(Cl)c2ccccc2)cc1
InChIInChI=1S/C15H14ClO2P/c1-18-15(17)13-9-7-12(8-10-13)11-19(16)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyRMEUKXVCIFSNJS-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.70
LogP ≤ 53.93
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

2-(4-methoxycarbonylphenyl)acetic acid
CID 10797879
ethane;methyl 4-[(benzylamino)methyl]benzoate
CID 144842755
3-(4-methoxycarbonylphenyl)-2-oxopropanoic acid
CID 15044862
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
bis((4-methoxycarbonylphenyl)methyl-triphenylphosphanium);dibromide;hydrate
CID 139074272
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
2-bromo-3-(4-methoxycarbonylphenyl)propanoic acid
CID 150848084
ethane;methoxymethane;methyl benzoate
CID 90999424
(4-methoxycarbonylphenyl)-triphenylphosphanium
CID 19810472
2-[(4-methoxycarbonylphenyl)methyl]prop-2-enoic acid
CID 57123056
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[chloro(phenyl)phosphanyl]methyl]benzoate?
The IUPAC name of methyl 4-[[chloro(phenyl)phosphanyl]methyl]benzoate (CID 59729444) is methyl 4-[[chloro(phenyl)phosphanyl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[chloro(phenyl)phosphanyl]methyl]benzoate?
The canonical SMILES for methyl 4-[[chloro(phenyl)phosphanyl]methyl]benzoate is COC(=O)c1ccc(CP(Cl)c2ccccc2)cc1.
What is the InChIKey of methyl 4-[[chloro(phenyl)phosphanyl]methyl]benzoate?
The InChIKey is RMEUKXVCIFSNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClO2P/c1-18-15(17)13-9-7-12(8-10-13)11-19(16)14-5-3-2-4-6-14/h2-10H,11H2,1H3.
What are the key properties of methyl 4-[[chloro(phenyl)phosphanyl]methyl]benzoate?
methyl 4-[[chloro(phenyl)phosphanyl]methyl]benzoate has a molecular weight of 292.70 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[chloro(phenyl)phosphanyl]methyl]benzoate is sourced from PubChem (CID 59729444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).