[(4-ethylphenyl)-diphenylmethyl] dihydrogen phosphate

C21H21O4P — CID 141047365

IUPAC[(4-ethylphenyl)-diphenylmethyl] dihydrogen phosphate
SMILESCCc1ccc(C(OP(=O)(O)O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21O4P/c1-2-17-13-15-20(16-14-17)21(25-26(22,23)24,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,2H2,1H3,(H2,22,23,24)
InChIKeyXWCNMLNGMUMBLX-UHFFFAOYSA-N
MW368.37 g/mol
LogP4.65
Rot. Bonds6

About [(4-ethylphenyl)-diphenylmethyl] dihydrogen phosphate

[(4-ethylphenyl)-diphenylmethyl] dihydrogen phosphate (PubChem CID 141047365) has the molecular formula C21H21O4P and a molecular weight of 368.37 g/mol. Its IUPAC name is [(4-ethylphenyl)-diphenylmethyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(4-ethylphenyl)-diphenylmethyl] dihydrogen phosphate
PubChem CID141047365
Molecular FormulaC21H21O4P
Molecular Weight368.37 g/mol
Exact Mass368.12
IUPAC Name[(4-ethylphenyl)-diphenylmethyl] dihydrogen phosphate
SMILESCCc1ccc(C(OP(=O)(O)O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21O4P/c1-2-17-13-15-20(16-14-17)21(25-26(22,23)24,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,2H2,1H3,(H2,22,23,24)
InChIKeyXWCNMLNGMUMBLX-UHFFFAOYSA-N
XLogP4.65
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-ethylphenyl)-phenylmethanediamine
CID 139628675
[bis(2-methylphenyl)-phenylmethyl] dihydrogen phosphate
CID 162514642
(4-ethylphenyl)-phenylphosphinic acid
CID 141028153
(1-phenyl-1-phosphonooxypropyl) prop-2-enoate
CID 174732463
sulfanium ethylbenzene
CID 22726309
1,1'-biphenyl;1-tert-butyl-4-ethylbenzene
CID 142597809
[4-[phenyl-bis[4-(phosphonomethyl)phenyl]methyl]phenyl]methylphosphonic acid
CID 91175176
[methyl(trityloxymethyl)phosphoryl]methanol
CID 11877002
bis(4-ethylphenyl)phosphinic acid
CID 23160701
ethylcyclodecapentaene
CID 90861705
bis(1-phenylpropane-1,1-diol);phosphoric acid
CID 175284612
1,2-bis(4-propan-2-ylphenyl)propan-2-yl dihydrogen phosphate
CID 162514643

Frequently Asked Questions

What is the IUPAC name of [(4-ethylphenyl)-diphenylmethyl] dihydrogen phosphate?
The IUPAC name of [(4-ethylphenyl)-diphenylmethyl] dihydrogen phosphate (CID 141047365) is [(4-ethylphenyl)-diphenylmethyl] dihydrogen phosphate.
What is the SMILES notation for [(4-ethylphenyl)-diphenylmethyl] dihydrogen phosphate?
The canonical SMILES for [(4-ethylphenyl)-diphenylmethyl] dihydrogen phosphate is CCc1ccc(C(OP(=O)(O)O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(4-ethylphenyl)-diphenylmethyl] dihydrogen phosphate?
The InChIKey is XWCNMLNGMUMBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O4P/c1-2-17-13-15-20(16-14-17)21(25-26(22,23)24,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,2H2,1H3,(H2,22,23,24).
What are the key properties of [(4-ethylphenyl)-diphenylmethyl] dihydrogen phosphate?
[(4-ethylphenyl)-diphenylmethyl] dihydrogen phosphate has a molecular weight of 368.37 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-ethylphenyl)-diphenylmethyl] dihydrogen phosphate is sourced from PubChem (CID 141047365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).