benzyl bis(prop-2-enyl) phosphite

C13H17O3P — CID 18961624

IUPACbenzyl bis(prop-2-enyl) phosphite
SMILESC=CCOP(OCC=C)OCc1ccccc1
InChIInChI=1S/C13H17O3P/c1-3-10-14-17(15-11-4-2)16-12-13-8-6-5-7-9-13/h3-9H,1-2,10-12H2
InChIKeyQNUPPMWAQBZTTO-UHFFFAOYSA-N
MW252.25 g/mol
LogP3.84
Rot. Bonds9

About benzyl bis(prop-2-enyl) phosphite

benzyl bis(prop-2-enyl) phosphite (PubChem CID 18961624) has the molecular formula C13H17O3P and a molecular weight of 252.25 g/mol. Its IUPAC name is benzyl bis(prop-2-enyl) phosphite.

Molecular Properties

Compound Namebenzyl bis(prop-2-enyl) phosphite
PubChem CID18961624
Molecular FormulaC13H17O3P
Molecular Weight252.25 g/mol
Exact Mass252.09
IUPAC Namebenzyl bis(prop-2-enyl) phosphite
SMILESC=CCOP(OCC=C)OCc1ccccc1
InChIInChI=1S/C13H17O3P/c1-3-10-14-17(15-11-4-2)16-12-13-8-6-5-7-9-13/h3-9H,1-2,10-12H2
InChIKeyQNUPPMWAQBZTTO-UHFFFAOYSA-N
XLogP3.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzyl bis(prop-2-enyl) phosphite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tribenzyl phosphite
CID 11810300
phenylmethoxy(prop-2-enyl)phosphinous acid
CID 11542939
phenyl-bis(prop-2-enoxy)phosphane
CID 11790775
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
ethenoxymethylbenzene
CID 11116115
phosphane;prop-2-enylbenzene
CID 87328808
benzyl methyl phenyl phosphite
CID 19107157
phenylmethoxy-bis(prop-2-enyl)silane
CID 173002764
ethane;ethenoxymethylbenzene
CID 144676673
phenylmethoxyphosphonamidous acid
CID 91418701
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
2-phenylmethoxy-N-prop-2-enoxyethanamine
CID 130844891

Frequently Asked Questions

What is the IUPAC name of benzyl bis(prop-2-enyl) phosphite?
The IUPAC name of benzyl bis(prop-2-enyl) phosphite (CID 18961624) is benzyl bis(prop-2-enyl) phosphite.
What is the SMILES notation for benzyl bis(prop-2-enyl) phosphite?
The canonical SMILES for benzyl bis(prop-2-enyl) phosphite is C=CCOP(OCC=C)OCc1ccccc1.
What is the InChIKey of benzyl bis(prop-2-enyl) phosphite?
The InChIKey is QNUPPMWAQBZTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17O3P/c1-3-10-14-17(15-11-4-2)16-12-13-8-6-5-7-9-13/h3-9H,1-2,10-12H2.
What are the key properties of benzyl bis(prop-2-enyl) phosphite?
benzyl bis(prop-2-enyl) phosphite has a molecular weight of 252.25 g/mol, XLogP of 3.84, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl bis(prop-2-enyl) phosphite is sourced from PubChem (CID 18961624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).