3-(3-diphenylphosphorylprop-2-ynoxy)prop-1-ynylbenzene

C24H19O2P — CID 51355398

IUPAC3-(3-diphenylphosphorylprop-2-ynoxy)prop-1-ynylbenzene
SMILESO=P(C#CCOCC#Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19O2P/c25-27(23-15-6-2-7-16-23,24-17-8-3-9-18-24)21-11-20-26-19-10-14-22-12-4-1-5-13-22/h1-9,12-13,15-18H,19-20H2
InChIKeyNTSCKHYEINFLRP-UHFFFAOYSA-N
MW370.39 g/mol
LogP4.03
Rot. Bonds4

About 3-(3-diphenylphosphorylprop-2-ynoxy)prop-1-ynylbenzene

3-(3-diphenylphosphorylprop-2-ynoxy)prop-1-ynylbenzene (PubChem CID 51355398) has the molecular formula C24H19O2P and a molecular weight of 370.39 g/mol. Its IUPAC name is 3-(3-diphenylphosphorylprop-2-ynoxy)prop-1-ynylbenzene.

Molecular Properties

Compound Name3-(3-diphenylphosphorylprop-2-ynoxy)prop-1-ynylbenzene
PubChem CID51355398
Molecular FormulaC24H19O2P
Molecular Weight370.39 g/mol
Exact Mass370.11
IUPAC Name3-(3-diphenylphosphorylprop-2-ynoxy)prop-1-ynylbenzene
SMILESO=P(C#CCOCC#Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19O2P/c25-27(23-15-6-2-7-16-23,24-17-8-3-9-18-24)21-11-20-26-19-10-14-22-12-4-1-5-13-22/h1-9,12-13,15-18H,19-20H2
InChIKeyNTSCKHYEINFLRP-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylpropoxy)prop-1-ynylbenzene
CID 130395196
2-[2-[2-[2-(3-phenylprop-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 142548631
3-(2,2,2-trifluoroethoxy)prop-1-ynylbenzene
CID 100928911
1-(2-diphenylphosphorylethynyl)-4-methoxybenzene
CID 53356159
1-(2-diphenylphosphorylethynyl)-3-[2-(4-methoxyphenyl)ethynyl]benzene
CID 102124566
2-[4-(2-diphenylphosphorylethynyl)phenyl]ethynyl-trimethylsilane
CID 102360951
hydron;4-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]morpholine;chloride
CID 659831
2-(3-phenylprop-2-ynoxymethyl)pyridine
CID 10998645
4-(4-fluorophenyl)-1-(3-phenylprop-2-ynoxy)but-3-yn-2-one
CID 71423525
N-[2-(3-phenylprop-2-ynoxy)ethyl]propan-2-amine
CID 62341837
3-phenylprop-2-ynyl methylsulfanylformate
CID 121220624
1-methyl-3-[3-[3-(3-methylphenyl)prop-2-ynoxy]prop-1-ynyl]benzene
CID 70506161

Frequently Asked Questions

What is the IUPAC name of 3-(3-diphenylphosphorylprop-2-ynoxy)prop-1-ynylbenzene?
The IUPAC name of 3-(3-diphenylphosphorylprop-2-ynoxy)prop-1-ynylbenzene (CID 51355398) is 3-(3-diphenylphosphorylprop-2-ynoxy)prop-1-ynylbenzene.
What is the SMILES notation for 3-(3-diphenylphosphorylprop-2-ynoxy)prop-1-ynylbenzene?
The canonical SMILES for 3-(3-diphenylphosphorylprop-2-ynoxy)prop-1-ynylbenzene is O=P(C#CCOCC#Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(3-diphenylphosphorylprop-2-ynoxy)prop-1-ynylbenzene?
The InChIKey is NTSCKHYEINFLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19O2P/c25-27(23-15-6-2-7-16-23,24-17-8-3-9-18-24)21-11-20-26-19-10-14-22-12-4-1-5-13-22/h1-9,12-13,15-18H,19-20H2.
What are the key properties of 3-(3-diphenylphosphorylprop-2-ynoxy)prop-1-ynylbenzene?
3-(3-diphenylphosphorylprop-2-ynoxy)prop-1-ynylbenzene has a molecular weight of 370.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-diphenylphosphorylprop-2-ynoxy)prop-1-ynylbenzene is sourced from PubChem (CID 51355398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).