(2,3-diphenyl-4-propan-2-ylphenyl) dihydrogen phosphate

C21H21O4P — CID 150021932

IUPAC(2,3-diphenyl-4-propan-2-ylphenyl) dihydrogen phosphate
SMILESCC(C)c1ccc(OP(=O)(O)O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H21O4P/c1-15(2)18-13-14-19(25-26(22,23)24)21(17-11-7-4-8-12-17)20(18)16-9-5-3-6-10-16/h3-15H,1-2H3,(H2,22,23,24)
InChIKeyDFKWMSUAYJNYMS-UHFFFAOYSA-N
MW368.37 g/mol
LogP5.62
Rot. Bonds5

About (2,3-diphenyl-4-propan-2-ylphenyl) dihydrogen phosphate

(2,3-diphenyl-4-propan-2-ylphenyl) dihydrogen phosphate (PubChem CID 150021932) has the molecular formula C21H21O4P and a molecular weight of 368.37 g/mol. Its IUPAC name is (2,3-diphenyl-4-propan-2-ylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2,3-diphenyl-4-propan-2-ylphenyl) dihydrogen phosphate
PubChem CID150021932
Molecular FormulaC21H21O4P
Molecular Weight368.37 g/mol
Exact Mass368.12
IUPAC Name(2,3-diphenyl-4-propan-2-ylphenyl) dihydrogen phosphate
SMILESCC(C)c1ccc(OP(=O)(O)O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H21O4P/c1-15(2)18-13-14-19(25-26(22,23)24)21(17-11-7-4-8-12-17)20(18)16-9-5-3-6-10-16/h3-15H,1-2H3,(H2,22,23,24)
InChIKeyDFKWMSUAYJNYMS-UHFFFAOYSA-N
XLogP5.62
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.37
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-propan-2-yl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-yl) dihydrogen phosphate
CID 20552487
[3-(4-methylphenyl)-4-phenyl-2-(1-phenylethyl)phenyl] dihydrogen phosphate
CID 139777341
1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate
CID 174514664
(2-phenylphenyl) dihydrogen phosphate
CID 19371408
tris(4-hydroxy-2,3-diphenylphenyl) phosphate
CID 139835214
2-methyl-3-phenyl-1,4-di(propan-2-yl)benzene
CID 154591625
2-phenyl-3-propan-2-ylphenol
CID 54177325
(3,5-dihydroxy-2,4,6-triphenylphenyl) dihydrogen phosphate
CID 10003019
tris(2,3-diphenyl-4-prop-1-en-2-ylphenyl) phosphate
CID 87935037
(2-phenyl-3-propan-2-ylphenyl) propanoate
CID 90033984
dimethyl (4-methyl-2,3-diphenylphenyl) phosphate
CID 176616261
1-diphenylphosphoryloxy-2-propan-2-ylbenzene
CID 118862439

Frequently Asked Questions

What is the IUPAC name of (2,3-diphenyl-4-propan-2-ylphenyl) dihydrogen phosphate?
The IUPAC name of (2,3-diphenyl-4-propan-2-ylphenyl) dihydrogen phosphate (CID 150021932) is (2,3-diphenyl-4-propan-2-ylphenyl) dihydrogen phosphate.
What is the SMILES notation for (2,3-diphenyl-4-propan-2-ylphenyl) dihydrogen phosphate?
The canonical SMILES for (2,3-diphenyl-4-propan-2-ylphenyl) dihydrogen phosphate is CC(C)c1ccc(OP(=O)(O)O)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of (2,3-diphenyl-4-propan-2-ylphenyl) dihydrogen phosphate?
The InChIKey is DFKWMSUAYJNYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O4P/c1-15(2)18-13-14-19(25-26(22,23)24)21(17-11-7-4-8-12-17)20(18)16-9-5-3-6-10-16/h3-15H,1-2H3,(H2,22,23,24).
What are the key properties of (2,3-diphenyl-4-propan-2-ylphenyl) dihydrogen phosphate?
(2,3-diphenyl-4-propan-2-ylphenyl) dihydrogen phosphate has a molecular weight of 368.37 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diphenyl-4-propan-2-ylphenyl) dihydrogen phosphate is sourced from PubChem (CID 150021932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).