[2-dichlorophosphoryloxyethoxy(diphenyl)methyl]benzene

C21H19Cl2O3P — CID 88760724

IUPAC[2-dichlorophosphoryloxyethoxy(diphenyl)methyl]benzene
SMILESO=P(Cl)(Cl)OCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19Cl2O3P/c22-27(23,24)26-17-16-25-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyRKWNDBZDDUNJHS-UHFFFAOYSA-N
MW421.26 g/mol
LogP6.60
Rot. Bonds8

About [2-dichlorophosphoryloxyethoxy(diphenyl)methyl]benzene

[2-dichlorophosphoryloxyethoxy(diphenyl)methyl]benzene (PubChem CID 88760724) has the molecular formula C21H19Cl2O3P and a molecular weight of 421.26 g/mol. Its IUPAC name is [2-dichlorophosphoryloxyethoxy(diphenyl)methyl]benzene.

Molecular Properties

Compound Name[2-dichlorophosphoryloxyethoxy(diphenyl)methyl]benzene
PubChem CID88760724
Molecular FormulaC21H19Cl2O3P
Molecular Weight421.26 g/mol
Exact Mass420.04
IUPAC Name[2-dichlorophosphoryloxyethoxy(diphenyl)methyl]benzene
SMILESO=P(Cl)(Cl)OCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19Cl2O3P/c22-27(23,24)26-17-16-25-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyRKWNDBZDDUNJHS-UHFFFAOYSA-N
XLogP6.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.26
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-trityloxypropanal
CID 571223
[diphenyl(2-phenylmethoxyethoxy)methyl]benzene
CID 99938038
methanesulfonic acid;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol
CID 71346038
[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecachlorodecoxy(diphenyl)methyl]benzene
CID 57017434
(2R)-2-(2-trityloxyethoxymethyl)oxirane
CID 150655953
1-bis(phenylmethoxy)phosphoryl-4-trityloxybutan-2-one
CID 11146358
1,5-ditrityloxypentan-3-ol
CID 140507927
2-[2-(2-trityloxyethoxy)ethoxymethyl]oxirane
CID 58690199
trityloxymethanamine
CID 59526425
[methyl(trityloxymethyl)phosphoryl]methanol
CID 11877002
heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol
CID 159570808
2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethyl methanesulfonate
CID 165061448

Frequently Asked Questions

What is the IUPAC name of [2-dichlorophosphoryloxyethoxy(diphenyl)methyl]benzene?
The IUPAC name of [2-dichlorophosphoryloxyethoxy(diphenyl)methyl]benzene (CID 88760724) is [2-dichlorophosphoryloxyethoxy(diphenyl)methyl]benzene.
What is the SMILES notation for [2-dichlorophosphoryloxyethoxy(diphenyl)methyl]benzene?
The canonical SMILES for [2-dichlorophosphoryloxyethoxy(diphenyl)methyl]benzene is O=P(Cl)(Cl)OCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-dichlorophosphoryloxyethoxy(diphenyl)methyl]benzene?
The InChIKey is RKWNDBZDDUNJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2O3P/c22-27(23,24)26-17-16-25-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2.
What are the key properties of [2-dichlorophosphoryloxyethoxy(diphenyl)methyl]benzene?
[2-dichlorophosphoryloxyethoxy(diphenyl)methyl]benzene has a molecular weight of 421.26 g/mol, XLogP of 6.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-dichlorophosphoryloxyethoxy(diphenyl)methyl]benzene is sourced from PubChem (CID 88760724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).