2-[3-(2-dihydroxyphosphanyloxyethoxy)-2,2-dimethyl-1-phenylpropoxy]ethyl dihydrogen phosphite

C15H26O8P2 — CID 54107568

IUPAC2-[3-(2-dihydroxyphosphanyloxyethoxy)-2,2-dimethyl-1-phenylpropoxy]ethyl dihydrogen phosphite
SMILESCC(C)(COCCOP(O)O)C(OCCOP(O)O)c1ccccc1
InChIInChI=1S/C15H26O8P2/c1-15(2,12-20-8-10-22-24(16)17)14(13-6-4-3-5-7-13)21-9-11-23-25(18)19/h3-7,14,16-19H,8-12H2,1-2H3
InChIKeyNEVGIOLTWOCWAY-UHFFFAOYSA-N
MW396.31 g/mol
LogP2.24
Rot. Bonds13

About 2-[3-(2-dihydroxyphosphanyloxyethoxy)-2,2-dimethyl-1-phenylpropoxy]ethyl dihydrogen phosphite

2-[3-(2-dihydroxyphosphanyloxyethoxy)-2,2-dimethyl-1-phenylpropoxy]ethyl dihydrogen phosphite (PubChem CID 54107568) has the molecular formula C15H26O8P2 and a molecular weight of 396.31 g/mol. Its IUPAC name is 2-[3-(2-dihydroxyphosphanyloxyethoxy)-2,2-dimethyl-1-phenylpropoxy]ethyl dihydrogen phosphite.

Molecular Properties

Compound Name2-[3-(2-dihydroxyphosphanyloxyethoxy)-2,2-dimethyl-1-phenylpropoxy]ethyl dihydrogen phosphite
PubChem CID54107568
Molecular FormulaC15H26O8P2
Molecular Weight396.31 g/mol
Exact Mass396.11
IUPAC Name2-[3-(2-dihydroxyphosphanyloxyethoxy)-2,2-dimethyl-1-phenylpropoxy]ethyl dihydrogen phosphite
SMILESCC(C)(COCCOP(O)O)C(OCCOP(O)O)c1ccccc1
InChIInChI=1S/C15H26O8P2/c1-15(2,12-20-8-10-22-24(16)17)14(13-6-4-3-5-7-13)21-9-11-23-25(18)19/h3-7,14,16-19H,8-12H2,1-2H3
InChIKeyNEVGIOLTWOCWAY-UHFFFAOYSA-N
XLogP2.24
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

(3S)-3-methoxy-2,2-dimethyl-3-phenylpropan-1-ol
CID 14871890
10-phenyldodecyl dihydrogen phosphite
CID 154182802
2-[2-(2-methyl-1-phenylpropoxy)ethoxy]ethanol
CID 70556867
19,19-diphenylnonadecyl dihydrogen phosphite
CID 19792274
2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol
CID 139655568
dihydroxyphosphanyl dihydrogen phosphite;2-(hydroxymethyl)-2-[phenoxy(phenyl)methyl]propane-1,3-diol
CID 174345716
cumene;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 123989591
bis(2,2-dimethyl-1-phenylpropyl) carbonate
CID 139502993
[2-(2-ethoxyethoxy)-1,1-diphenylethyl] dihydrogen phosphite
CID 54137988
2,2-dimethyl-3-(2-phenoxyethoxy)propanoic acid
CID 79623125
tetrakis((2,2-dimethyl-1-phenylpropoxy)-dihydroxyphosphanium);nickel
CID 88804753
2-(hydroxymethyl)-2-[phenyl(tridecoxy)methyl]propane-1,3-diol
CID 175332713

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-dihydroxyphosphanyloxyethoxy)-2,2-dimethyl-1-phenylpropoxy]ethyl dihydrogen phosphite?
The IUPAC name of 2-[3-(2-dihydroxyphosphanyloxyethoxy)-2,2-dimethyl-1-phenylpropoxy]ethyl dihydrogen phosphite (CID 54107568) is 2-[3-(2-dihydroxyphosphanyloxyethoxy)-2,2-dimethyl-1-phenylpropoxy]ethyl dihydrogen phosphite.
What is the SMILES notation for 2-[3-(2-dihydroxyphosphanyloxyethoxy)-2,2-dimethyl-1-phenylpropoxy]ethyl dihydrogen phosphite?
The canonical SMILES for 2-[3-(2-dihydroxyphosphanyloxyethoxy)-2,2-dimethyl-1-phenylpropoxy]ethyl dihydrogen phosphite is CC(C)(COCCOP(O)O)C(OCCOP(O)O)c1ccccc1.
What is the InChIKey of 2-[3-(2-dihydroxyphosphanyloxyethoxy)-2,2-dimethyl-1-phenylpropoxy]ethyl dihydrogen phosphite?
The InChIKey is NEVGIOLTWOCWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O8P2/c1-15(2,12-20-8-10-22-24(16)17)14(13-6-4-3-5-7-13)21-9-11-23-25(18)19/h3-7,14,16-19H,8-12H2,1-2H3.
What are the key properties of 2-[3-(2-dihydroxyphosphanyloxyethoxy)-2,2-dimethyl-1-phenylpropoxy]ethyl dihydrogen phosphite?
2-[3-(2-dihydroxyphosphanyloxyethoxy)-2,2-dimethyl-1-phenylpropoxy]ethyl dihydrogen phosphite has a molecular weight of 396.31 g/mol, XLogP of 2.24, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-dihydroxyphosphanyloxyethoxy)-2,2-dimethyl-1-phenylpropoxy]ethyl dihydrogen phosphite is sourced from PubChem (CID 54107568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).