6-[chloro(triphenyl)-λ5-phosphanyl]hexan-1-ol

C24H28ClOP — CID 163215868

IUPAC6-[chloro(triphenyl)-λ5-phosphanyl]hexan-1-ol
SMILESOCCCCCCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28ClOP/c25-27(21-13-2-1-12-20-26,22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19,26H,1-2,12-13,20-21H2
InChIKeyIMBGMCGXWOOPOU-UHFFFAOYSA-N
MW398.91 g/mol
LogP5.22
Rot. Bonds9

About 6-[chloro(triphenyl)-λ5-phosphanyl]hexan-1-ol

6-[chloro(triphenyl)-λ5-phosphanyl]hexan-1-ol (PubChem CID 163215868) has the molecular formula C24H28ClOP and a molecular weight of 398.91 g/mol. Its IUPAC name is 6-[chloro(triphenyl)-λ5-phosphanyl]hexan-1-ol.

Molecular Properties

Compound Name6-[chloro(triphenyl)-λ5-phosphanyl]hexan-1-ol
PubChem CID163215868
Molecular FormulaC24H28ClOP
Molecular Weight398.91 g/mol
Exact Mass398.16
IUPAC Name6-[chloro(triphenyl)-λ5-phosphanyl]hexan-1-ol
SMILESOCCCCCCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28ClOP/c25-27(21-13-2-1-12-20-26,22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19,26H,1-2,12-13,20-21H2
InChIKeyIMBGMCGXWOOPOU-UHFFFAOYSA-N
XLogP5.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.91
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[chloro(triphenyl)-λ5-phosphanyl]hexan-1-ol?
The IUPAC name of 6-[chloro(triphenyl)-λ5-phosphanyl]hexan-1-ol (CID 163215868) is 6-[chloro(triphenyl)-λ5-phosphanyl]hexan-1-ol.
What is the SMILES notation for 6-[chloro(triphenyl)-λ5-phosphanyl]hexan-1-ol?
The canonical SMILES for 6-[chloro(triphenyl)-λ5-phosphanyl]hexan-1-ol is OCCCCCCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-[chloro(triphenyl)-λ5-phosphanyl]hexan-1-ol?
The InChIKey is IMBGMCGXWOOPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClOP/c25-27(21-13-2-1-12-20-26,22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19,26H,1-2,12-13,20-21H2.
What are the key properties of 6-[chloro(triphenyl)-λ5-phosphanyl]hexan-1-ol?
6-[chloro(triphenyl)-λ5-phosphanyl]hexan-1-ol has a molecular weight of 398.91 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro(triphenyl)-λ5-phosphanyl]hexan-1-ol is sourced from PubChem (CID 163215868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).