(3-acetyl-2-iodylphenyl) dihydrogen phosphate

C8H8IO7P — CID 23357307

IUPAC(3-acetyl-2-iodylphenyl) dihydrogen phosphate
SMILESCC(=O)c1cccc(OP(=O)(O)O)c1I(=O)=O
InChIInChI=1S/C8H8IO7P/c1-5(10)6-3-2-4-7(8(6)9(11)12)16-17(13,14)15/h2-4H,1H3,(H2,13,14,15)
InChIKeyZOSMJENNFHNGLW-UHFFFAOYSA-N
MW374.02 g/mol
LogP1.73
Rot. Bonds4

About (3-acetyl-2-iodylphenyl) dihydrogen phosphate

(3-acetyl-2-iodylphenyl) dihydrogen phosphate (PubChem CID 23357307) has the molecular formula C8H8IO7P and a molecular weight of 374.02 g/mol. Its IUPAC name is (3-acetyl-2-iodylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(3-acetyl-2-iodylphenyl) dihydrogen phosphate
PubChem CID23357307
Molecular FormulaC8H8IO7P
Molecular Weight374.02 g/mol
Exact Mass373.91
IUPAC Name(3-acetyl-2-iodylphenyl) dihydrogen phosphate
SMILESCC(=O)c1cccc(OP(=O)(O)O)c1I(=O)=O
InChIInChI=1S/C8H8IO7P/c1-5(10)6-3-2-4-7(8(6)9(11)12)16-17(13,14)15/h2-4H,1H3,(H2,13,14,15)
InChIKeyZOSMJENNFHNGLW-UHFFFAOYSA-N
XLogP1.73
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.02
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-acetyloxyethyl 2-phosphonooxybenzoate
CID 58511809
sodium;hydride;2-phosphonooxybenzoic acid
CID 174241105
8-phosphonooxynaphthalene-1-carboxylic acid
CID 171384485
1-(3-aminooxy-2-hydroxyphenyl)ethanone
CID 174471693
(3-fluoro-2-methylphenyl) dihydrogen phosphate
CID 122607374
(3-acetylphenyl) dihydrogen phosphate
CID 57284655
(2,3-diiodophenyl) dihydrogen phosphate
CID 154366629
(2-ethyl-3-phosphonooxyphenyl) 2-methylprop-2-enoate
CID 151945597
[2-[3-(5-methylfuran-2-yl)prop-2-enoyl]phenyl] dihydrogen phosphate
CID 70507728
(7-hydroxynaphthalen-1-yl) dihydrogen phosphate
CID 153322561
1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate
CID 174514664
(3-bromo-2-chlorophenyl) dihydrogen phosphate
CID 54375223

Frequently Asked Questions

What is the IUPAC name of (3-acetyl-2-iodylphenyl) dihydrogen phosphate?
The IUPAC name of (3-acetyl-2-iodylphenyl) dihydrogen phosphate (CID 23357307) is (3-acetyl-2-iodylphenyl) dihydrogen phosphate.
What is the SMILES notation for (3-acetyl-2-iodylphenyl) dihydrogen phosphate?
The canonical SMILES for (3-acetyl-2-iodylphenyl) dihydrogen phosphate is CC(=O)c1cccc(OP(=O)(O)O)c1I(=O)=O.
What is the InChIKey of (3-acetyl-2-iodylphenyl) dihydrogen phosphate?
The InChIKey is ZOSMJENNFHNGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IO7P/c1-5(10)6-3-2-4-7(8(6)9(11)12)16-17(13,14)15/h2-4H,1H3,(H2,13,14,15).
What are the key properties of (3-acetyl-2-iodylphenyl) dihydrogen phosphate?
(3-acetyl-2-iodylphenyl) dihydrogen phosphate has a molecular weight of 374.02 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyl-2-iodylphenyl) dihydrogen phosphate is sourced from PubChem (CID 23357307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).