3-[iodo(triphenyl)-lambda5-phosphanyl]propan-1-ol

C21H22IOP — CID 15266450

IUPAC3-[iodo(triphenyl)-lambda5-phosphanyl]propan-1-ol
SMILESOCCCP(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22IOP/c22-24(18-10-17-23,19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,23H,10,17-18H2
InChIKeyMCRLGBMJQLIOQJ-UHFFFAOYSA-N
MW448.28 g/mol
LogP4.25
Rot. Bonds6

About 3-[iodo(triphenyl)-lambda5-phosphanyl]propan-1-ol

3-[iodo(triphenyl)-lambda5-phosphanyl]propan-1-ol (PubChem CID 15266450) has the molecular formula C21H22IOP and a molecular weight of 448.28 g/mol. Its IUPAC name is 3-[iodo(triphenyl)-lambda5-phosphanyl]propan-1-ol.

Molecular Properties

Compound Name3-[iodo(triphenyl)-lambda5-phosphanyl]propan-1-ol
PubChem CID15266450
Molecular FormulaC21H22IOP
Molecular Weight448.28 g/mol
Exact Mass448.05
IUPAC Name3-[iodo(triphenyl)-lambda5-phosphanyl]propan-1-ol
SMILESOCCCP(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22IOP/c22-24(18-10-17-23,19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,23H,10,17-18H2
InChIKeyMCRLGBMJQLIOQJ-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.28
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[2-hydroxyethyl(triphenyl)-λ5-phosphanyl]propan-1-ol
CID 88862410
iodo-pentadecyl-triphenyl-lambda5-phosphane
CID 15341703
iodo-octadecyl-triphenyl-λ5-phosphane
CID 140528131
3-[chloro(triphenyl)-lambda5-phosphanyl]propan-1-ol
CID 14735122
3-[chloro-(3-hydroxypropyl)-diphenyl-λ5-phosphanyl]propan-1-ol
CID 134994832
but-3-ynyl-iodo-triphenyl-λ5-phosphane
CID 162411782
6-[chloro(triphenyl)-λ5-phosphanyl]hexan-1-ol
CID 163215868
10-iododecoxymethylbenzene;iodo-triphenyl-(10-phenylmethoxydecyl)-λ5-phosphane
CID 158234257
6-[tert-butyl(dimethyl)silyl]oxyhexyl-iodo-triphenyl-λ5-phosphane
CID 140621382
benzene;butane-1,4-diol
CID 141209769
tetraphenyl-[2-(tetraphenyl-λ5-phosphanyl)ethyl]-λ5-phosphane
CID 175110521
iodo-[(4-methoxyphenyl)methyl]-triphenyl-λ5-phosphane
CID 140526465

Frequently Asked Questions

What is the IUPAC name of 3-[iodo(triphenyl)-lambda5-phosphanyl]propan-1-ol?
The IUPAC name of 3-[iodo(triphenyl)-lambda5-phosphanyl]propan-1-ol (CID 15266450) is 3-[iodo(triphenyl)-lambda5-phosphanyl]propan-1-ol.
What is the SMILES notation for 3-[iodo(triphenyl)-lambda5-phosphanyl]propan-1-ol?
The canonical SMILES for 3-[iodo(triphenyl)-lambda5-phosphanyl]propan-1-ol is OCCCP(I)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[iodo(triphenyl)-lambda5-phosphanyl]propan-1-ol?
The InChIKey is MCRLGBMJQLIOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22IOP/c22-24(18-10-17-23,19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,23H,10,17-18H2.
What are the key properties of 3-[iodo(triphenyl)-lambda5-phosphanyl]propan-1-ol?
3-[iodo(triphenyl)-lambda5-phosphanyl]propan-1-ol has a molecular weight of 448.28 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[iodo(triphenyl)-lambda5-phosphanyl]propan-1-ol is sourced from PubChem (CID 15266450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).