1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene

C19H21O3P — CID 87155986

IUPAC1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene
SMILESC=CCc1ccccc1OP(C)(=O)Oc1ccccc1CC=C
InChIInChI=1S/C19H21O3P/c1-4-10-16-12-6-8-14-18(16)21-23(3,20)22-19-15-9-7-13-17(19)11-5-2/h4-9,12-15H,1-2,10-11H2,3H3
InChIKeyASKUFTIRVOYUFF-UHFFFAOYSA-N
MW328.35 g/mol
LogP5.42
Rot. Bonds8

About 1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene

1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene (PubChem CID 87155986) has the molecular formula C19H21O3P and a molecular weight of 328.35 g/mol. Its IUPAC name is 1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene.

Molecular Properties

Compound Name1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene
PubChem CID87155986
Molecular FormulaC19H21O3P
Molecular Weight328.35 g/mol
Exact Mass328.12
IUPAC Name1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene
SMILESC=CCc1ccccc1OP(C)(=O)Oc1ccccc1CC=C
InChIInChI=1S/C19H21O3P/c1-4-10-16-12-6-8-14-18(16)21-23(3,20)22-19-15-9-7-13-17(19)11-5-2/h4-9,12-15H,1-2,10-11H2,3H3
InChIKeyASKUFTIRVOYUFF-UHFFFAOYSA-N
XLogP5.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.35
LogP ≤ 55.42
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'}

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Related Compounds

bis(2-prop-2-enylphenyl) hydrogen phosphate
CID 68656699
ethenyl-(2-prop-2-enylphenoxy)phosphinic acid
CID 87155476
1-(bromomethyl)-2-[[2-(bromomethyl)phenoxy]-methylphosphoryl]oxybenzene
CID 174422888
CID 15477926
CID 15477926
(2-prop-2-enylphenyl) acetate;dihydrobromide
CID 70043796
ethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene
CID 154957356
1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene
CID 14224427
hydroxy-(2-prop-2-enylphenoxy)-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 88814487
CID 13455471
CID 13455471
1-(3-bromo-2,2-dimethylpropoxy)-2-prop-2-enylbenzene
CID 64994697
1-prop-2-enyl-2-propylperoxybenzene
CID 87336505
(2-prop-2-enylphenyl) 2-oxoacetate
CID 87234163

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene?
The IUPAC name of 1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene (CID 87155986) is 1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene.
What is the SMILES notation for 1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene?
The canonical SMILES for 1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene is C=CCc1ccccc1OP(C)(=O)Oc1ccccc1CC=C.
What is the InChIKey of 1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene?
The InChIKey is ASKUFTIRVOYUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21O3P/c1-4-10-16-12-6-8-14-18(16)21-23(3,20)22-19-15-9-7-13-17(19)11-5-2/h4-9,12-15H,1-2,10-11H2,3H3.
What are the key properties of 1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene?
1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene has a molecular weight of 328.35 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene is sourced from PubChem (CID 87155986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).