benzoyloxymethoxyphosphanyloxymethyl 2-hydroxybenzoate

C16H15O7P — CID 141116513

IUPACbenzoyloxymethoxyphosphanyloxymethyl 2-hydroxybenzoate
SMILESO=C(OCOPOCOC(=O)c1ccccc1O)c1ccccc1
InChIInChI=1S/C16H15O7P/c17-14-9-5-4-8-13(14)16(19)21-11-23-24-22-10-20-15(18)12-6-2-1-3-7-12/h1-9,17,24H,10-11H2
InChIKeyWVEVBCMVZVDVHP-UHFFFAOYSA-N
MW350.26 g/mol
LogP2.86
Rot. Bonds8

About benzoyloxymethoxyphosphanyloxymethyl 2-hydroxybenzoate

benzoyloxymethoxyphosphanyloxymethyl 2-hydroxybenzoate (PubChem CID 141116513) has the molecular formula C16H15O7P and a molecular weight of 350.26 g/mol. Its IUPAC name is benzoyloxymethoxyphosphanyloxymethyl 2-hydroxybenzoate.

Molecular Properties

Compound Namebenzoyloxymethoxyphosphanyloxymethyl 2-hydroxybenzoate
PubChem CID141116513
Molecular FormulaC16H15O7P
Molecular Weight350.26 g/mol
Exact Mass350.06
IUPAC Namebenzoyloxymethoxyphosphanyloxymethyl 2-hydroxybenzoate
SMILESO=C(OCOPOCOC(=O)c1ccccc1O)c1ccccc1
InChIInChI=1S/C16H15O7P/c17-14-9-5-4-8-13(14)16(19)21-11-23-24-22-10-20-15(18)12-6-2-1-3-7-12/h1-9,17,24H,10-11H2
InChIKeyWVEVBCMVZVDVHP-UHFFFAOYSA-N
XLogP2.86
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane
CID 159507892
ethyl benzoate;phthalic acid
CID 159584831
2-benzoyloxyethyl 2-benzoylbenzoate
CID 2456527
2-chloroethyl 2-hydroxybenzoate
CID 13052757
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
2-fluoroethyl 2-hydroxybenzoate
CID 158044446
amino 2-hydroxybenzoate
CID 12598418
butyl 2-hydroxybenzoate;carbonic acid
CID 146405927
benzene;butyl 2-hydroxybenzoate;carbonic acid
CID 158989973
potassium hydroxymethyl benzoate
CID 22993318
2-benzoyloxyethyl benzoate;ethene
CID 67969171
2-methoxyethoxymethyl benzoate
CID 11275823

Frequently Asked Questions

What is the IUPAC name of benzoyloxymethoxyphosphanyloxymethyl 2-hydroxybenzoate?
The IUPAC name of benzoyloxymethoxyphosphanyloxymethyl 2-hydroxybenzoate (CID 141116513) is benzoyloxymethoxyphosphanyloxymethyl 2-hydroxybenzoate.
What is the SMILES notation for benzoyloxymethoxyphosphanyloxymethyl 2-hydroxybenzoate?
The canonical SMILES for benzoyloxymethoxyphosphanyloxymethyl 2-hydroxybenzoate is O=C(OCOPOCOC(=O)c1ccccc1O)c1ccccc1.
What is the InChIKey of benzoyloxymethoxyphosphanyloxymethyl 2-hydroxybenzoate?
The InChIKey is WVEVBCMVZVDVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15O7P/c17-14-9-5-4-8-13(14)16(19)21-11-23-24-22-10-20-15(18)12-6-2-1-3-7-12/h1-9,17,24H,10-11H2.
What are the key properties of benzoyloxymethoxyphosphanyloxymethyl 2-hydroxybenzoate?
benzoyloxymethoxyphosphanyloxymethyl 2-hydroxybenzoate has a molecular weight of 350.26 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyloxymethoxyphosphanyloxymethyl 2-hydroxybenzoate is sourced from PubChem (CID 141116513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).