1-bis(phenylmethoxy)phosphoryloxypropan-2-yl acetate

C19H23O6P — CID 91289517

IUPAC1-bis(phenylmethoxy)phosphoryloxypropan-2-yl acetate
SMILESCC(=O)OC(C)COP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H23O6P/c1-16(25-17(2)20)13-22-26(21,23-14-18-9-5-3-6-10-18)24-15-19-11-7-4-8-12-19/h3-12,16H,13-15H2,1-2H3
InChIKeyGCFVMYVJDQLIRK-UHFFFAOYSA-N
MW378.36 g/mol
LogP4.50
Rot. Bonds10

About 1-bis(phenylmethoxy)phosphoryloxypropan-2-yl acetate

1-bis(phenylmethoxy)phosphoryloxypropan-2-yl acetate (PubChem CID 91289517) has the molecular formula C19H23O6P and a molecular weight of 378.36 g/mol. Its IUPAC name is 1-bis(phenylmethoxy)phosphoryloxypropan-2-yl acetate.

Molecular Properties

Compound Name1-bis(phenylmethoxy)phosphoryloxypropan-2-yl acetate
PubChem CID91289517
Molecular FormulaC19H23O6P
Molecular Weight378.36 g/mol
Exact Mass378.12
IUPAC Name1-bis(phenylmethoxy)phosphoryloxypropan-2-yl acetate
SMILESCC(=O)OC(C)COP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H23O6P/c1-16(25-17(2)20)13-22-26(21,23-14-18-9-5-3-6-10-18)24-15-19-11-7-4-8-12-19/h3-12,16H,13-15H2,1-2H3
InChIKeyGCFVMYVJDQLIRK-UHFFFAOYSA-N
XLogP4.50
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-phenylmethoxyphenoxy)propan-2-yl acetate
CID 54480267
4-bis(phenylmethoxy)phosphoryloxybutyl acetate
CID 67987945
[(2R,3R)-3-acetyloxy-4-[acetyl(phenylmethoxy)amino]-1-bis(phenylmethoxy)phosphoryloxy-4-oxobutan-2-yl] acetate
CID 11786932
benzyl bis(2,3-dihydroxypropyl) phosphate
CID 71386404
dibenzyl [3-bis(phenylmethoxy)phosphoryloxy-2-(2-methoxyethoxy)propyl] phosphate
CID 88543969
dibenzyl (2-hydroxy-3-phenylmethoxypropyl) phosphate
CID 11487549
dibenzyl [(2R,3S,4R)-2,3,4-trihydroxyhexyl] phosphate
CID 10669267
4-bis(phenylmethoxy)phosphoryloxybutyl acetate;dibenzyl 4-hydroxybutyl phosphate
CID 158828112
[(1S)-1-phenylmethoxyethyl] acetate
CID 10965388
[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxo-1-phenylmethoxypropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] 2-acetyloxypropanoate
CID 126688958
[(2S)-1-oxo-1-[(2S)-1-oxo-1-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-acetyloxypropanoate
CID 126688929
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609

Frequently Asked Questions

What is the IUPAC name of 1-bis(phenylmethoxy)phosphoryloxypropan-2-yl acetate?
The IUPAC name of 1-bis(phenylmethoxy)phosphoryloxypropan-2-yl acetate (CID 91289517) is 1-bis(phenylmethoxy)phosphoryloxypropan-2-yl acetate.
What is the SMILES notation for 1-bis(phenylmethoxy)phosphoryloxypropan-2-yl acetate?
The canonical SMILES for 1-bis(phenylmethoxy)phosphoryloxypropan-2-yl acetate is CC(=O)OC(C)COP(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 1-bis(phenylmethoxy)phosphoryloxypropan-2-yl acetate?
The InChIKey is GCFVMYVJDQLIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O6P/c1-16(25-17(2)20)13-22-26(21,23-14-18-9-5-3-6-10-18)24-15-19-11-7-4-8-12-19/h3-12,16H,13-15H2,1-2H3.
What are the key properties of 1-bis(phenylmethoxy)phosphoryloxypropan-2-yl acetate?
1-bis(phenylmethoxy)phosphoryloxypropan-2-yl acetate has a molecular weight of 378.36 g/mol, XLogP of 4.50, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(phenylmethoxy)phosphoryloxypropan-2-yl acetate is sourced from PubChem (CID 91289517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).