[2-(2-iodophenyl)phenyl] acetate

C14H11IO2 — CID 134890357

IUPAC[2-(2-iodophenyl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1-c1ccccc1I
InChIInChI=1S/C14H11IO2/c1-10(16)17-14-9-5-3-7-12(14)11-6-2-4-8-13(11)15/h2-9H,1H3
InChIKeyRKOMWFMKPUGLGX-UHFFFAOYSA-N
MW338.14 g/mol
LogP3.88
Rot. Bonds2

About [2-(2-iodophenyl)phenyl] acetate

[2-(2-iodophenyl)phenyl] acetate (PubChem CID 134890357) has the molecular formula C14H11IO2 and a molecular weight of 338.14 g/mol. Its IUPAC name is [2-(2-iodophenyl)phenyl] acetate.

Molecular Properties

Compound Name[2-(2-iodophenyl)phenyl] acetate
PubChem CID134890357
Molecular FormulaC14H11IO2
Molecular Weight338.14 g/mol
Exact Mass337.98
IUPAC Name[2-(2-iodophenyl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1-c1ccccc1I
InChIInChI=1S/C14H11IO2/c1-10(16)17-14-9-5-3-7-12(14)11-6-2-4-8-13(11)15/h2-9H,1H3
InChIKeyRKOMWFMKPUGLGX-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.14
LogP ≤ 53.88
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

[2-(4-aminophenyl)phenyl] acetate
CID 68788383
[2-(2-butylphenyl)phenyl] acetate
CID 68813742
[2-[(2S)-3-acetyl-5-(2-iodophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 95074432
[2-[2-acetyloxy-6-(trifluoromethyl)phenyl]phenyl] acetate
CID 135057575
(2-chloro-3-phenylphenyl) acetate
CID 54501671
1-iodo-2-[2-[(2-methylpropan-2-yl)oxy]phenyl]benzene;trifluoromethanesulfonic acid
CID 173153086
[2-(1H-indol-2-yl)phenyl] acetate
CID 155537678
methyl 4-(2-acetyloxyphenyl)naphthalene-2-carboxylate
CID 154942920
2-[2-(2-acetyloxybenzoyl)oxybenzoyl]oxybenzoic acid
CID 67421543
bis[2-(2-methylphenyl)phenyl] oxalate
CID 70127324
(2-trimethylsilylphenyl) acetate
CID 13101762
(2-iodophenyl) methyl carbonate
CID 102340361

Frequently Asked Questions

What is the IUPAC name of [2-(2-iodophenyl)phenyl] acetate?
The IUPAC name of [2-(2-iodophenyl)phenyl] acetate (CID 134890357) is [2-(2-iodophenyl)phenyl] acetate.
What is the SMILES notation for [2-(2-iodophenyl)phenyl] acetate?
The canonical SMILES for [2-(2-iodophenyl)phenyl] acetate is CC(=O)Oc1ccccc1-c1ccccc1I.
What is the InChIKey of [2-(2-iodophenyl)phenyl] acetate?
The InChIKey is RKOMWFMKPUGLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IO2/c1-10(16)17-14-9-5-3-7-12(14)11-6-2-4-8-13(11)15/h2-9H,1H3.
What are the key properties of [2-(2-iodophenyl)phenyl] acetate?
[2-(2-iodophenyl)phenyl] acetate has a molecular weight of 338.14 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-iodophenyl)phenyl] acetate is sourced from PubChem (CID 134890357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).