acetic acid;1-iodosyl-4-phenylbenzene

C16H17IO5 — CID 160591801

IUPACacetic acid;1-iodosyl-4-phenylbenzene
SMILESCC(=O)O.CC(=O)O.O=Ic1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H9IO.2C2H4O2/c14-13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2*1-2(3)4/h1-9H;2*1H3,(H,3,4)
InChIKeyRDCVOSOKBVPMJC-UHFFFAOYSA-N
MW416.21 g/mol
LogP4.02
Rot. Bonds2

About acetic acid;1-iodosyl-4-phenylbenzene

acetic acid;1-iodosyl-4-phenylbenzene (PubChem CID 160591801) has the molecular formula C16H17IO5 and a molecular weight of 416.21 g/mol. Its IUPAC name is acetic acid;1-iodosyl-4-phenylbenzene.

Molecular Properties

Compound Nameacetic acid;1-iodosyl-4-phenylbenzene
PubChem CID160591801
Molecular FormulaC16H17IO5
Molecular Weight416.21 g/mol
Exact Mass416.01
IUPAC Nameacetic acid;1-iodosyl-4-phenylbenzene
SMILESCC(=O)O.CC(=O)O.O=Ic1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H9IO.2C2H4O2/c14-13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2*1-2(3)4/h1-9H;2*1H3,(H,3,4)
InChIKeyRDCVOSOKBVPMJC-UHFFFAOYSA-N
XLogP4.02
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.21
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 91464981
acetic acid;1,1'-biphenyl;zinc
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1,1'-biphenyl;palladium(2+);diacetate
CID 173036521
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
acetic acid;1-iodosyl-2-phenylbenzene
CID 162172185
1-phenyl-1-(4-phenylphenyl)propan-2-one
CID 156769575
acetyl chloride;4-phenylphenol
CID 174878083
N-(4-phenylphenyl)acetamide
CID 19998
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
acetic acid;benzene;ethane;toluene
CID 90764441

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-iodosyl-4-phenylbenzene?
The IUPAC name of acetic acid;1-iodosyl-4-phenylbenzene (CID 160591801) is acetic acid;1-iodosyl-4-phenylbenzene.
What is the SMILES notation for acetic acid;1-iodosyl-4-phenylbenzene?
The canonical SMILES for acetic acid;1-iodosyl-4-phenylbenzene is CC(=O)O.CC(=O)O.O=Ic1ccc(-c2ccccc2)cc1.
What is the InChIKey of acetic acid;1-iodosyl-4-phenylbenzene?
The InChIKey is RDCVOSOKBVPMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IO.2C2H4O2/c14-13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2*1-2(3)4/h1-9H;2*1H3,(H,3,4).
What are the key properties of acetic acid;1-iodosyl-4-phenylbenzene?
acetic acid;1-iodosyl-4-phenylbenzene has a molecular weight of 416.21 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-iodosyl-4-phenylbenzene is sourced from PubChem (CID 160591801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).