bis(2-methylphenyl) phenyl phosphate

C20H19O4P — CID 14618640

IUPACbis(2-methylphenyl) phenyl phosphate
SMILESCc1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1C
InChIInChI=1S/C20H19O4P/c1-16-10-6-8-14-19(16)23-25(21,22-18-12-4-3-5-13-18)24-20-15-9-7-11-17(20)2/h3-15H,1-2H3
InChIKeyXSRQYQRFQNGZKR-UHFFFAOYSA-N
MW354.34 g/mol
LogP5.95
Rot. Bonds6

About bis(2-methylphenyl) phenyl phosphate

bis(2-methylphenyl) phenyl phosphate (PubChem CID 14618640) has the molecular formula C20H19O4P and a molecular weight of 354.34 g/mol. Its IUPAC name is bis(2-methylphenyl) phenyl phosphate.

Molecular Properties

Compound Namebis(2-methylphenyl) phenyl phosphate
PubChem CID14618640
Molecular FormulaC20H19O4P
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC Namebis(2-methylphenyl) phenyl phosphate
SMILESCc1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1C
InChIInChI=1S/C20H19O4P/c1-16-10-6-8-14-19(16)23-25(21,22-18-12-4-3-5-13-18)24-20-15-9-7-11-17(20)2/h3-15H,1-2H3
InChIKeyXSRQYQRFQNGZKR-UHFFFAOYSA-N
XLogP5.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.34
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methylphenyl) dihydrogen phosphate;triphenyl phosphate
CID 175331630
triphenyl phosphate;tris(2-methylphenyl) phosphate;tris(3-methylphenyl) phosphate
CID 174811049
CID 174515144
CID 174515144
strontium;hydride;tris(2-methylphenyl) phosphate
CID 174594378
(2-methylphenyl) diphenyl phosphate;(3-methylphenyl) diphenyl phosphate;(4-methylphenyl) diphenyl phosphate
CID 24832071
sodium;hydride;tris(2-methylphenyl) phosphate;dodecahydrate
CID 174892431
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
2-methylpropane;triphenyl phosphate
CID 91193965
bis(2-bromophenyl) phenyl phosphate
CID 154206613
2,2-bis(hydroxymethyl)propane-1,3-diol;tris(2-methylphenyl) phosphate
CID 174787830
bis(2,3-dimethylphenyl) (4-methylphenyl) phosphate
CID 66990758

Frequently Asked Questions

What is the IUPAC name of bis(2-methylphenyl) phenyl phosphate?
The IUPAC name of bis(2-methylphenyl) phenyl phosphate (CID 14618640) is bis(2-methylphenyl) phenyl phosphate.
What is the SMILES notation for bis(2-methylphenyl) phenyl phosphate?
The canonical SMILES for bis(2-methylphenyl) phenyl phosphate is Cc1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1C.
What is the InChIKey of bis(2-methylphenyl) phenyl phosphate?
The InChIKey is XSRQYQRFQNGZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19O4P/c1-16-10-6-8-14-19(16)23-25(21,22-18-12-4-3-5-13-18)24-20-15-9-7-11-17(20)2/h3-15H,1-2H3.
What are the key properties of bis(2-methylphenyl) phenyl phosphate?
bis(2-methylphenyl) phenyl phosphate has a molecular weight of 354.34 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylphenyl) phenyl phosphate is sourced from PubChem (CID 14618640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).