[2-(2-ethoxyethoxy)-1,1-diphenylethyl] dihydrogen phosphite

C18H23O5P — CID 54137988

IUPAC[2-(2-ethoxyethoxy)-1,1-diphenylethyl] dihydrogen phosphite
SMILESCCOCCOCC(OP(O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23O5P/c1-2-21-13-14-22-15-18(23-24(19)20,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,19-20H,2,13-15H2,1H3
InChIKeyNZBORHXWVTWDCT-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.21
Rot. Bonds10

About [2-(2-ethoxyethoxy)-1,1-diphenylethyl] dihydrogen phosphite

[2-(2-ethoxyethoxy)-1,1-diphenylethyl] dihydrogen phosphite (PubChem CID 54137988) has the molecular formula C18H23O5P and a molecular weight of 350.35 g/mol. Its IUPAC name is [2-(2-ethoxyethoxy)-1,1-diphenylethyl] dihydrogen phosphite.

Molecular Properties

Compound Name[2-(2-ethoxyethoxy)-1,1-diphenylethyl] dihydrogen phosphite
PubChem CID54137988
Molecular FormulaC18H23O5P
Molecular Weight350.35 g/mol
Exact Mass350.13
IUPAC Name[2-(2-ethoxyethoxy)-1,1-diphenylethyl] dihydrogen phosphite
SMILESCCOCCOCC(OP(O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23O5P/c1-2-21-13-14-22-15-18(23-24(19)20,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,19-20H,2,13-15H2,1H3
InChIKeyNZBORHXWVTWDCT-UHFFFAOYSA-N
XLogP3.21
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol
CID 116695460
(2-ethoxy-1,1-diphenylethyl)benzene
CID 58693364
ethoxyethane;triphenylmethanol
CID 70428584
tris(1,1-diphenylpropyl) phosphite
CID 70574153
2-ethoxyethyl 2-amino-2-phenylpropanoate
CID 62488733
N-[2-(2-ethoxyethoxy)ethyl]aniline
CID 23009140
5-phenylnonan-5-yl dihydrogen phosphite
CID 126613823
4-(2-ethoxyethoxy)-2-(methylamino)-2-phenylbutanamide
CID 116694151
1,1,2-triphenylbutan-2-yl dihydrogen phosphite
CID 69048743
3-ethoxy-2-methyl-2-phenylpropanoic acid
CID 174890846
1-amino-3-ethoxy-2-phenylpropan-2-ol
CID 64813783
2-ethoxyethanol;phenylmethanol
CID 174850859

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyethoxy)-1,1-diphenylethyl] dihydrogen phosphite?
The IUPAC name of [2-(2-ethoxyethoxy)-1,1-diphenylethyl] dihydrogen phosphite (CID 54137988) is [2-(2-ethoxyethoxy)-1,1-diphenylethyl] dihydrogen phosphite.
What is the SMILES notation for [2-(2-ethoxyethoxy)-1,1-diphenylethyl] dihydrogen phosphite?
The canonical SMILES for [2-(2-ethoxyethoxy)-1,1-diphenylethyl] dihydrogen phosphite is CCOCCOCC(OP(O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(2-ethoxyethoxy)-1,1-diphenylethyl] dihydrogen phosphite?
The InChIKey is NZBORHXWVTWDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O5P/c1-2-21-13-14-22-15-18(23-24(19)20,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,19-20H,2,13-15H2,1H3.
What are the key properties of [2-(2-ethoxyethoxy)-1,1-diphenylethyl] dihydrogen phosphite?
[2-(2-ethoxyethoxy)-1,1-diphenylethyl] dihydrogen phosphite has a molecular weight of 350.35 g/mol, XLogP of 3.21, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyethoxy)-1,1-diphenylethyl] dihydrogen phosphite is sourced from PubChem (CID 54137988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).