[but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene

C18H21O3P — CID 71417020

IUPAC[but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene
SMILESCC=CCP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H21O3P/c1-2-3-14-22(19,20-15-17-10-6-4-7-11-17)21-16-18-12-8-5-9-13-18/h2-13H,14-16H2,1H3
InChIKeyYVFMXWAXTLEHLY-UHFFFAOYSA-N
MW316.34 g/mol
LogP5.19
Rot. Bonds8

About [but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene

[but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene (PubChem CID 71417020) has the molecular formula C18H21O3P and a molecular weight of 316.34 g/mol. Its IUPAC name is [but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene.

Molecular Properties

Compound Name[but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene
PubChem CID71417020
Molecular FormulaC18H21O3P
Molecular Weight316.34 g/mol
Exact Mass316.12
IUPAC Name[but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene
SMILESCC=CCP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H21O3P/c1-2-3-14-22(19,20-15-17-10-6-4-7-11-17)21-16-18-12-8-5-9-13-18/h2-13H,14-16H2,1H3
InChIKeyYVFMXWAXTLEHLY-UHFFFAOYSA-N
XLogP5.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.34
LogP ≤ 55.19
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 [but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene 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

[phenylmethoxy(prop-1-enyl)phosphoryl]oxymethylbenzene
CID 72790570
3-bis(phenylmethoxy)phosphorylpropanoic acid
CID 46223844
[benzyl(chloromethoxy)phosphoryl]oxymethylbenzene
CID 57149072
1-bis(phenylmethoxy)phosphorylpropan-2-one
CID 176899401
(E)-1-bis(phenylmethoxy)phosphorylbut-2-en-1-one
CID 11566124
[phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene
CID 59131511
trisodium;bis(phenylmethoxy)phosphorylmethyl-dioxido-oxo-λ5-phosphane
CID 162188865
[phenylmethoxy(prop-2-enoxymethyl)phosphoryl]oxymethylbenzene
CID 142823878
[(E)-but-2-enyl]-(2-phenylethyl)phosphinic acid
CID 67394631
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
[2-methylbutan-2-yloxymethyl(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 58944428

Frequently Asked Questions

What is the IUPAC name of [but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene?
The IUPAC name of [but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene (CID 71417020) is [but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene.
What is the SMILES notation for [but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene?
The canonical SMILES for [but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene is CC=CCP(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of [but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene?
The InChIKey is YVFMXWAXTLEHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O3P/c1-2-3-14-22(19,20-15-17-10-6-4-7-11-17)21-16-18-12-8-5-9-13-18/h2-13H,14-16H2,1H3.
What are the key properties of [but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene?
[but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene has a molecular weight of 316.34 g/mol, XLogP of 5.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene is sourced from PubChem (CID 71417020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).