3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol

C21H30O2P2 — CID 14871357

IUPAC3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol
SMILESOCCCP(CCCP(CCCO)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H30O2P2/c22-14-7-16-24(20-10-3-1-4-11-20)18-9-19-25(17-8-15-23)21-12-5-2-6-13-21/h1-6,10-13,22-23H,7-9,14-19H2
InChIKeyBNHQNSJYGOWRLT-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.76
Rot. Bonds12

About 3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol

3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol (PubChem CID 14871357) has the molecular formula C21H30O2P2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol
PubChem CID14871357
Molecular FormulaC21H30O2P2
Molecular Weight376.42 g/mol
Exact Mass376.17
IUPAC Name3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol
SMILESOCCCP(CCCP(CCCO)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H30O2P2/c22-14-7-16-24(20-10-3-1-4-11-20)18-9-19-25(17-8-15-23)21-12-5-2-6-13-21/h1-6,10-13,22-23H,7-9,14-19H2
InChIKeyBNHQNSJYGOWRLT-UHFFFAOYSA-N
XLogP3.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis[3-[methyl(phenyl)phosphanyl]propyl]-phenylphosphane
CID 58654516
dipentyl(phenyl)phosphane
CID 3085487
bis[3-di(propan-2-yloxy)phosphanylpropyl]-phenylphosphane
CID 102211792
3-[3-diphenylphosphanylpropyl(phenyl)phosphanyl]-N,N-dimethylpropan-1-amine
CID 12578065
2-bromoethyl-[2-[2-bromoethyl(phenyl)phosphanyl]ethyl]-phenylphosphane
CID 102487174
3-bromopropan-1-ol;triphenylphosphane
CID 87481966
ethyl-[2-[ethyl(phenyl)phosphanyl]ethyl]-phenylphosphane
CID 22760091
bis[2-(4-bromophenyl)ethyl]-phenylphosphane
CID 132525002
2-[2-(dimethylamino)ethyl-phenylphosphanyl]-N,N-dimethylethanamine
CID 70119668
3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]propan-1-ol
CID 170752667
diphenyl-[3-[phenyl(2-triethoxysilylethyl)phosphanyl]propyl]phosphane
CID 11181263
benzene;3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]propan-1-ol
CID 170752666

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol?
The IUPAC name of 3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol (CID 14871357) is 3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol.
What is the SMILES notation for 3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol?
The canonical SMILES for 3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol is OCCCP(CCCP(CCCO)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol?
The InChIKey is BNHQNSJYGOWRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O2P2/c22-14-7-16-24(20-10-3-1-4-11-20)18-9-19-25(17-8-15-23)21-12-5-2-6-13-21/h1-6,10-13,22-23H,7-9,14-19H2.
What are the key properties of 3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol?
3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol has a molecular weight of 376.42 g/mol, XLogP of 3.76, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol is sourced from PubChem (CID 14871357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).