(2-iodophenyl) methyl carbonate

C8H7IO3 — CID 102340361

IUPAC(2-iodophenyl) methyl carbonate
SMILESCOC(=O)Oc1ccccc1I
InChIInChI=1S/C8H7IO3/c1-11-8(10)12-7-5-3-2-4-6(7)9/h2-5H,1H3
InChIKeyQRUPNVDCJUFIPY-UHFFFAOYSA-N
MW278.05 g/mol
LogP2.44
Rot. Bonds1

About (2-iodophenyl) methyl carbonate

(2-iodophenyl) methyl carbonate (PubChem CID 102340361) has the molecular formula C8H7IO3 and a molecular weight of 278.05 g/mol. Its IUPAC name is (2-iodophenyl) methyl carbonate.

Molecular Properties

Compound Name(2-iodophenyl) methyl carbonate
PubChem CID102340361
Molecular FormulaC8H7IO3
Molecular Weight278.05 g/mol
Exact Mass277.94
IUPAC Name(2-iodophenyl) methyl carbonate
SMILESCOC(=O)Oc1ccccc1I
InChIInChI=1S/C8H7IO3/c1-11-8(10)12-7-5-3-2-4-6(7)9/h2-5H,1H3
InChIKeyQRUPNVDCJUFIPY-UHFFFAOYSA-N
XLogP2.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.05
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-iodophenyl) methyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-acetylphenyl) methyl carbonate
CID 14493761
(2-ethylphenyl) methyl carbonate
CID 67179071
(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
[2-(bromomethyl)phenyl] methyl carbonate
CID 122649168
[2-[hydroxy(methoxy)methoxy]phenyl] methyl carbonate
CID 129163738
[2-(methoxymethoxy)phenyl] methyl carbonate
CID 129163810
(2-iodophenyl) 3-bromopropanoate
CID 102051950
CID 172627144
CID 172627144
methyl (9-oxofluoren-4-yl) carbonate
CID 67416838
(2-iodophenyl) 4-iodobenzoate
CID 125485845
methyl 2-methoxy-6-methoxycarbonyloxybenzoate
CID 174850482
(2-methylphenyl) 2-methoxycarbonyloxybenzoate
CID 69024261

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl) methyl carbonate?
The IUPAC name of (2-iodophenyl) methyl carbonate (CID 102340361) is (2-iodophenyl) methyl carbonate.
What is the SMILES notation for (2-iodophenyl) methyl carbonate?
The canonical SMILES for (2-iodophenyl) methyl carbonate is COC(=O)Oc1ccccc1I.
What is the InChIKey of (2-iodophenyl) methyl carbonate?
The InChIKey is QRUPNVDCJUFIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IO3/c1-11-8(10)12-7-5-3-2-4-6(7)9/h2-5H,1H3.
What are the key properties of (2-iodophenyl) methyl carbonate?
(2-iodophenyl) methyl carbonate has a molecular weight of 278.05 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl) methyl carbonate is sourced from PubChem (CID 102340361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).