(2-iodo-3-methylphenyl)-diphenylarsane

C19H16AsI — CID 139152500

IUPAC(2-iodo-3-methylphenyl)-diphenylarsane
SMILESCc1cccc([As](c2ccccc2)c2ccccc2)c1I
InChIInChI=1S/C19H16AsI/c1-15-9-8-14-18(19(15)21)20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-14H,1H3
InChIKeyHOFHMXCLCOKOLX-UHFFFAOYSA-N
MW446.16 g/mol
LogP3.12
Rot. Bonds3

About (2-iodo-3-methylphenyl)-diphenylarsane

(2-iodo-3-methylphenyl)-diphenylarsane (PubChem CID 139152500) has the molecular formula C19H16AsI and a molecular weight of 446.16 g/mol. Its IUPAC name is (2-iodo-3-methylphenyl)-diphenylarsane.

Molecular Properties

Compound Name(2-iodo-3-methylphenyl)-diphenylarsane
PubChem CID139152500
Molecular FormulaC19H16AsI
Molecular Weight446.16 g/mol
Exact Mass445.95
IUPAC Name(2-iodo-3-methylphenyl)-diphenylarsane
SMILESCc1cccc([As](c2ccccc2)c2ccccc2)c1I
InChIInChI=1S/C19H16AsI/c1-15-9-8-14-18(19(15)21)20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-14H,1H3
InChIKeyHOFHMXCLCOKOLX-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.16
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2-iodo-3-methylphenyl)-diphenylarsane 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

benzene;1,2-xylene
CID 161464493
iodopalladium(1+);methylbenzene;bis(triphenylarsane)
CID 12710107
CID 174747854
CID 174747854
azane;1,2-xylene;hydrate
CID 158522930
1-(2-iodo-3-methylphenyl)-N-methylmethanamine
CID 15288422
1,2-xylene
CID 173422016
2-iodo-1-methyl-3-methylsulfanylbenzene
CID 91881115
(2-methylphenyl)arsonous acid
CID 71382438
benzene;1,2,3-trimethylbenzene
CID 159605245
2,6-dimethylphenolate phenoxide
CID 161319197
1-iodo-2,3-dimethylbenzene;1,2-xylene
CID 175003744
azane;1,2-xylene
CID 174280305

Frequently Asked Questions

What is the IUPAC name of (2-iodo-3-methylphenyl)-diphenylarsane?
The IUPAC name of (2-iodo-3-methylphenyl)-diphenylarsane (CID 139152500) is (2-iodo-3-methylphenyl)-diphenylarsane.
What is the SMILES notation for (2-iodo-3-methylphenyl)-diphenylarsane?
The canonical SMILES for (2-iodo-3-methylphenyl)-diphenylarsane is Cc1cccc([As](c2ccccc2)c2ccccc2)c1I.
What is the InChIKey of (2-iodo-3-methylphenyl)-diphenylarsane?
The InChIKey is HOFHMXCLCOKOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16AsI/c1-15-9-8-14-18(19(15)21)20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-14H,1H3.
What are the key properties of (2-iodo-3-methylphenyl)-diphenylarsane?
(2-iodo-3-methylphenyl)-diphenylarsane has a molecular weight of 446.16 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodo-3-methylphenyl)-diphenylarsane is sourced from PubChem (CID 139152500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).