dimethyl (4-methyl-2,3-diphenylphenyl) phosphate

C21H21O4P — CID 176616261

IUPACdimethyl (4-methyl-2,3-diphenylphenyl) phosphate
SMILESCOP(=O)(OC)Oc1ccc(C)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H21O4P/c1-16-14-15-19(25-26(22,23-2)24-3)21(18-12-8-5-9-13-18)20(16)17-10-6-4-7-11-17/h4-15H,1-3H3
InChIKeyJRNRHAKMLOJIGJ-UHFFFAOYSA-N
MW368.37 g/mol
LogP6.11
Rot. Bonds6

About dimethyl (4-methyl-2,3-diphenylphenyl) phosphate

dimethyl (4-methyl-2,3-diphenylphenyl) phosphate (PubChem CID 176616261) has the molecular formula C21H21O4P and a molecular weight of 368.37 g/mol. Its IUPAC name is dimethyl (4-methyl-2,3-diphenylphenyl) phosphate.

Molecular Properties

Compound Namedimethyl (4-methyl-2,3-diphenylphenyl) phosphate
PubChem CID176616261
Molecular FormulaC21H21O4P
Molecular Weight368.37 g/mol
Exact Mass368.12
IUPAC Namedimethyl (4-methyl-2,3-diphenylphenyl) phosphate
SMILESCOP(=O)(OC)Oc1ccc(C)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H21O4P/c1-16-14-15-19(25-26(22,23-2)24-3)21(18-12-8-5-9-13-18)20(16)17-10-6-4-7-11-17/h4-15H,1-3H3
InChIKeyJRNRHAKMLOJIGJ-UHFFFAOYSA-N
XLogP6.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.37
LogP ≤ 56.11
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

tris(4-hydroxy-2,3-diphenylphenyl) phosphate
CID 139835214
tris(2,3-diphenyl-4-prop-1-en-2-ylphenyl) phosphate
CID 87935037
dimethyl phenyl phosphate;ethane;trimethyl phosphate
CID 90867053
2-diethoxyphosphoryl-1-methoxy-4-methyl-3-phenylbenzene
CID 58067281
(2,3-diphenyl-4-propan-2-ylphenyl) dihydrogen phosphate
CID 150021932
[4-(2-tert-butylphenyl)-2,3-diphenylphenyl] diphenyl phosphate
CID 175192889
1,4-dimethyl-2-(2-methylphenyl)-3-phenylbenzene
CID 141155122
CID 174515144
CID 174515144
(4-methoxy-2-methyl-3-phenylphenyl)phosphonic acid
CID 89463077
strontium;hydride;tris(2-methylphenyl) phosphate
CID 174594378
bis(2-methylphenyl) phenyl phosphate
CID 14618640
1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate
CID 174514664

Frequently Asked Questions

What is the IUPAC name of dimethyl (4-methyl-2,3-diphenylphenyl) phosphate?
The IUPAC name of dimethyl (4-methyl-2,3-diphenylphenyl) phosphate (CID 176616261) is dimethyl (4-methyl-2,3-diphenylphenyl) phosphate.
What is the SMILES notation for dimethyl (4-methyl-2,3-diphenylphenyl) phosphate?
The canonical SMILES for dimethyl (4-methyl-2,3-diphenylphenyl) phosphate is COP(=O)(OC)Oc1ccc(C)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of dimethyl (4-methyl-2,3-diphenylphenyl) phosphate?
The InChIKey is JRNRHAKMLOJIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O4P/c1-16-14-15-19(25-26(22,23-2)24-3)21(18-12-8-5-9-13-18)20(16)17-10-6-4-7-11-17/h4-15H,1-3H3.
What are the key properties of dimethyl (4-methyl-2,3-diphenylphenyl) phosphate?
dimethyl (4-methyl-2,3-diphenylphenyl) phosphate has a molecular weight of 368.37 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4-methyl-2,3-diphenylphenyl) phosphate is sourced from PubChem (CID 176616261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).