[2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide

C19H17I2P — CID 172706183

IUPAC[2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide
SMILESI.ICc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16IP.HI/c20-15-16-9-7-8-14-19(16)21(17-10-3-1-4-11-17)18-12-5-2-6-13-18;/h1-14H,15H2;1H
InChIKeyDPSPDGWFQCKLBQ-UHFFFAOYSA-N
MW530.13 g/mol
LogP5.00
Rot. Bonds4

About [2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide

[2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide (PubChem CID 172706183) has the molecular formula C19H17I2P and a molecular weight of 530.13 g/mol. Its IUPAC name is [2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide.

Molecular Properties

Compound Name[2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide
PubChem CID172706183
Molecular FormulaC19H17I2P
Molecular Weight530.13 g/mol
Exact Mass529.92
IUPAC Name[2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide
SMILESI.ICc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16IP.HI/c20-15-16-9-7-8-14-19(16)21(17-10-3-1-4-11-17)18-12-5-2-6-13-18;/h1-14H,15H2;1H
InChIKeyDPSPDGWFQCKLBQ-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.13
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide 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

lithium (2-diphenylphosphanylphenyl)methanolate
CID 102445042
(2-ethylphenyl)-diphenylphosphane;hydrobromide
CID 172692670
2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol
CID 155445648
[2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride
CID 172706250
[2-(3-bromoprop-2-enyl)phenyl]-diphenylphosphane
CID 175898296
2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride
CID 172741972
1-[2-[[2-[(dimethylamino)methyl]phenyl]-phenylphosphanyl]phenyl]-N,N-dimethylmethanamine
CID 15039376
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid
CID 101007725
[2-(methoxymethyl)phenyl]-diphenylphosphane;hydrochloride
CID 172850190
(2-diphenylphosphanylphenyl)methyl-hydroxy-oxophosphanium
CID 22447243
(2-pentylphenyl)-diphenylphosphane
CID 22731138

Frequently Asked Questions

What is the IUPAC name of [2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide?
The IUPAC name of [2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide (CID 172706183) is [2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide.
What is the SMILES notation for [2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide?
The canonical SMILES for [2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide is I.ICc1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide?
The InChIKey is DPSPDGWFQCKLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16IP.HI/c20-15-16-9-7-8-14-19(16)21(17-10-3-1-4-11-17)18-12-5-2-6-13-18;/h1-14H,15H2;1H.
What are the key properties of [2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide?
[2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide has a molecular weight of 530.13 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide is sourced from PubChem (CID 172706183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).