iodobenzene;methane;phenol;phenoxybenzene

C25H25IO2 — CID 159678193

IUPACiodobenzene;methane;phenol;phenoxybenzene
SMILESC.Ic1ccccc1.Oc1ccccc1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C6H5I.C6H6O.CH4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*7-6-4-2-1-3-5-6;/h1-10H;1-5H;1-5,7H;1H4
InChIKeyMUWMWFFOFVKOGZ-UHFFFAOYSA-N
MW484.38 g/mol
LogP7.80
Rot. Bonds2

About iodobenzene;methane;phenol;phenoxybenzene

iodobenzene;methane;phenol;phenoxybenzene (PubChem CID 159678193) has the molecular formula C25H25IO2 and a molecular weight of 484.38 g/mol. Its IUPAC name is iodobenzene;methane;phenol;phenoxybenzene.

Molecular Properties

Compound Nameiodobenzene;methane;phenol;phenoxybenzene
PubChem CID159678193
Molecular FormulaC25H25IO2
Molecular Weight484.38 g/mol
Exact Mass484.09
IUPAC Nameiodobenzene;methane;phenol;phenoxybenzene
SMILESC.Ic1ccccc1.Oc1ccccc1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C6H5I.C6H6O.CH4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*7-6-4-2-1-3-5-6;/h1-10H;1-5H;1-5,7H;1H4
InChIKeyMUWMWFFOFVKOGZ-UHFFFAOYSA-N
XLogP7.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.38
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodobenzene;methane;phenol;phenoxybenzene?
The IUPAC name of iodobenzene;methane;phenol;phenoxybenzene (CID 159678193) is iodobenzene;methane;phenol;phenoxybenzene.
What is the SMILES notation for iodobenzene;methane;phenol;phenoxybenzene?
The canonical SMILES for iodobenzene;methane;phenol;phenoxybenzene is C.Ic1ccccc1.Oc1ccccc1.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of iodobenzene;methane;phenol;phenoxybenzene?
The InChIKey is MUWMWFFOFVKOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C6H5I.C6H6O.CH4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*7-6-4-2-1-3-5-6;/h1-10H;1-5H;1-5,7H;1H4.
What are the key properties of iodobenzene;methane;phenol;phenoxybenzene?
iodobenzene;methane;phenol;phenoxybenzene has a molecular weight of 484.38 g/mol, XLogP of 7.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodobenzene;methane;phenol;phenoxybenzene is sourced from PubChem (CID 159678193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).