[4-(iodomethyl)phenyl]-diphenylphosphane

C19H16IP — CID 142704427

IUPAC[4-(iodomethyl)phenyl]-diphenylphosphane
SMILESICc1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16IP/c20-15-16-11-13-19(14-12-16)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2
InChIKeyVRVSCUOWZTZKHK-UHFFFAOYSA-N
MW402.22 g/mol
LogP4.38
Rot. Bonds4

About [4-(iodomethyl)phenyl]-diphenylphosphane

[4-(iodomethyl)phenyl]-diphenylphosphane (PubChem CID 142704427) has the molecular formula C19H16IP and a molecular weight of 402.22 g/mol. Its IUPAC name is [4-(iodomethyl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[4-(iodomethyl)phenyl]-diphenylphosphane
PubChem CID142704427
Molecular FormulaC19H16IP
Molecular Weight402.22 g/mol
Exact Mass402.00
IUPAC Name[4-(iodomethyl)phenyl]-diphenylphosphane
SMILESICc1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16IP/c20-15-16-11-13-19(14-12-16)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2
InChIKeyVRVSCUOWZTZKHK-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.22
LogP ≤ 54.38
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'}

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Related Compounds

triphenylphosphane
CID 139056248
iodocopper;triphenylphosphane
CID 12549340
N-[(4-diphenylphosphanylphenyl)methyl]-1-phenylmethanamine
CID 24878642
silane;triphenylphosphane
CID 161037280
tris(triphenylphosphane);hydrobromide
CID 172722268
tris(triphenylphosphane);trihydrochloride
CID 173282987
palladium;bis(triphenylphosphane)
CID 10122028
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
plutonium;triphenylphosphane
CID 161300359
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134

Frequently Asked Questions

What is the IUPAC name of [4-(iodomethyl)phenyl]-diphenylphosphane?
The IUPAC name of [4-(iodomethyl)phenyl]-diphenylphosphane (CID 142704427) is [4-(iodomethyl)phenyl]-diphenylphosphane.
What is the SMILES notation for [4-(iodomethyl)phenyl]-diphenylphosphane?
The canonical SMILES for [4-(iodomethyl)phenyl]-diphenylphosphane is ICc1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-(iodomethyl)phenyl]-diphenylphosphane?
The InChIKey is VRVSCUOWZTZKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16IP/c20-15-16-11-13-19(14-12-16)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2.
What are the key properties of [4-(iodomethyl)phenyl]-diphenylphosphane?
[4-(iodomethyl)phenyl]-diphenylphosphane has a molecular weight of 402.22 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(iodomethyl)phenyl]-diphenylphosphane is sourced from PubChem (CID 142704427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).