dimethyl(diphenyl)phosphanium benzoate

C21H21O2P — CID 18355987

IUPACdimethyl(diphenyl)phosphanium benzoate
SMILESC[P+](C)(c1ccccc1)c1ccccc1.O=C([O-])c1ccccc1
InChIInChI=1S/C14H16P.C7H6O2/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;8-7(9)6-4-2-1-3-5-6/h3-12H,1-2H3;1-5H,(H,8,9)/q+1;/p-1
InChIKeyQAKMMCNFAQGJQR-UHFFFAOYSA-M
MW336.37 g/mol
LogP2.96
Rot. Bonds3

About dimethyl(diphenyl)phosphanium benzoate

dimethyl(diphenyl)phosphanium benzoate (PubChem CID 18355987) has the molecular formula C21H21O2P and a molecular weight of 336.37 g/mol. Its IUPAC name is dimethyl(diphenyl)phosphanium benzoate.

Molecular Properties

Compound Namedimethyl(diphenyl)phosphanium benzoate
PubChem CID18355987
Molecular FormulaC21H21O2P
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Namedimethyl(diphenyl)phosphanium benzoate
SMILESC[P+](C)(c1ccccc1)c1ccccc1.O=C([O-])c1ccccc1
InChIInChI=1S/C14H16P.C7H6O2/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;8-7(9)6-4-2-1-3-5-6/h3-12H,1-2H3;1-5H,(H,8,9)/q+1;/p-1
InChIKeyQAKMMCNFAQGJQR-UHFFFAOYSA-M
XLogP2.96
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.96
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

cerium(3+) tribenzoate
CID 6452877
ethane;benzoate
CID 161103305
ethane;benzoate
CID 90830280
fluoromethane benzoate
CID 162095004
barium(2+) benzoate
CID 22608800
benzoate tetrahydrate
CID 18510013
cobalt(3+) tribenzoate
CID 20537733
aluminum dibenzoate
CID 18679092
platinum(4+) tetrabenzoate
CID 173022810
cadmium(2+) benzoate
CID 22051861
azanium benzoate
CID 15830
calcium dibenzoate
CID 90470399

Frequently Asked Questions

What is the IUPAC name of dimethyl(diphenyl)phosphanium benzoate?
The IUPAC name of dimethyl(diphenyl)phosphanium benzoate (CID 18355987) is dimethyl(diphenyl)phosphanium benzoate.
What is the SMILES notation for dimethyl(diphenyl)phosphanium benzoate?
The canonical SMILES for dimethyl(diphenyl)phosphanium benzoate is C[P+](C)(c1ccccc1)c1ccccc1.O=C([O-])c1ccccc1.
What is the InChIKey of dimethyl(diphenyl)phosphanium benzoate?
The InChIKey is QAKMMCNFAQGJQR-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H16P.C7H6O2/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;8-7(9)6-4-2-1-3-5-6/h3-12H,1-2H3;1-5H,(H,8,9)/q+1;/p-1.
What are the key properties of dimethyl(diphenyl)phosphanium benzoate?
dimethyl(diphenyl)phosphanium benzoate has a molecular weight of 336.37 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(diphenyl)phosphanium benzoate is sourced from PubChem (CID 18355987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).