[iodo(phenoxy)methyl]benzene

C13H11IO — CID 54113161

IUPAC[iodo(phenoxy)methyl]benzene
SMILESIC(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C13H11IO/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10,13H
InChIKeyTYKQMBYQOCPAJG-UHFFFAOYSA-N
MW310.13 g/mol
LogP4.20
Rot. Bonds3

About [iodo(phenoxy)methyl]benzene

[iodo(phenoxy)methyl]benzene (PubChem CID 54113161) has the molecular formula C13H11IO and a molecular weight of 310.13 g/mol. Its IUPAC name is [iodo(phenoxy)methyl]benzene.

Molecular Properties

Compound Name[iodo(phenoxy)methyl]benzene
PubChem CID54113161
Molecular FormulaC13H11IO
Molecular Weight310.13 g/mol
Exact Mass309.99
IUPAC Name[iodo(phenoxy)methyl]benzene
SMILESIC(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C13H11IO/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10,13H
InChIKeyTYKQMBYQOCPAJG-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.13
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxy-1-phenylbutan-1-amine
CID 43211594
1-phenoxyprop-2-enylbenzene
CID 11735962
2-[iodo(naphthalen-2-yl)methoxy]naphthalene
CID 57251053
[1-phenoxy-3-(3-phenoxy-3-phenylpropoxy)propyl]benzene
CID 70632407
2-phenoxy-2-phenylethanamine chloride
CID 21228850
2-phenoxy-2-phenylethanamine;sulfane
CID 174620608
4-[phenoxy(phenyl)methyl]phenol
CID 174712499
(3-bromo-1-phenoxypropyl)benzene
CID 140974911
(3S)-3-phenoxy-3-phenylpropan-1-amine
CID 11736303
azane;phenylperoxybenzene
CID 174490395
1-phenoxyethanol
CID 66611531
[(1R)-1-fluoroethoxy]benzene
CID 175733278

Frequently Asked Questions

What is the IUPAC name of [iodo(phenoxy)methyl]benzene?
The IUPAC name of [iodo(phenoxy)methyl]benzene (CID 54113161) is [iodo(phenoxy)methyl]benzene.
What is the SMILES notation for [iodo(phenoxy)methyl]benzene?
The canonical SMILES for [iodo(phenoxy)methyl]benzene is IC(Oc1ccccc1)c1ccccc1.
What is the InChIKey of [iodo(phenoxy)methyl]benzene?
The InChIKey is TYKQMBYQOCPAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IO/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10,13H.
What are the key properties of [iodo(phenoxy)methyl]benzene?
[iodo(phenoxy)methyl]benzene has a molecular weight of 310.13 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [iodo(phenoxy)methyl]benzene is sourced from PubChem (CID 54113161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).