phenyl acetate;hydroiodide

C8H9IO2 — CID 172788123

IUPACphenyl acetate;hydroiodide
SMILESCC(=O)Oc1ccccc1.I
InChIInChI=1S/C8H8O2.HI/c1-7(9)10-8-5-3-2-4-6-8;/h2-6H,1H3;1H
InChIKeyPEKQDCBFCZDABW-UHFFFAOYSA-N
MW264.06 g/mol
LogP2.23
Rot. Bonds1

About phenyl acetate;hydroiodide

phenyl acetate;hydroiodide (PubChem CID 172788123) has the molecular formula C8H9IO2 and a molecular weight of 264.06 g/mol. Its IUPAC name is phenyl acetate;hydroiodide.

Molecular Properties

Compound Namephenyl acetate;hydroiodide
PubChem CID172788123
Molecular FormulaC8H9IO2
Molecular Weight264.06 g/mol
Exact Mass263.96
IUPAC Namephenyl acetate;hydroiodide
SMILESCC(=O)Oc1ccccc1.I
InChIInChI=1S/C8H8O2.HI/c1-7(9)10-8-5-3-2-4-6-8;/h2-6H,1H3;1H
InChIKeyPEKQDCBFCZDABW-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.06
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 159991718
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CID 175488590
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CID 70517650
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CID 70298210
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CID 160646986

Frequently Asked Questions

What is the IUPAC name of phenyl acetate;hydroiodide?
The IUPAC name of phenyl acetate;hydroiodide (CID 172788123) is phenyl acetate;hydroiodide.
What is the SMILES notation for phenyl acetate;hydroiodide?
The canonical SMILES for phenyl acetate;hydroiodide is CC(=O)Oc1ccccc1.I.
What is the InChIKey of phenyl acetate;hydroiodide?
The InChIKey is PEKQDCBFCZDABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.HI/c1-7(9)10-8-5-3-2-4-6-8;/h2-6H,1H3;1H.
What are the key properties of phenyl acetate;hydroiodide?
phenyl acetate;hydroiodide has a molecular weight of 264.06 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl acetate;hydroiodide is sourced from PubChem (CID 172788123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).