1-methyl-4-[(4-methylphenoxy)-prop-2-enylphosphoryl]oxybenzene

C17H19O3P — CID 87155254

IUPAC1-methyl-4-[(4-methylphenoxy)-prop-2-enylphosphoryl]oxybenzene
SMILESC=CCP(=O)(Oc1ccc(C)cc1)Oc1ccc(C)cc1
InChIInChI=1S/C17H19O3P/c1-4-13-21(18,19-16-9-5-14(2)6-10-16)20-17-11-7-15(3)8-12-17/h4-12H,1,13H2,2-3H3
InChIKeyWRKQFBZODRCODR-UHFFFAOYSA-N
MW302.31 g/mol
LogP5.14
Rot. Bonds6

About 1-methyl-4-[(4-methylphenoxy)-prop-2-enylphosphoryl]oxybenzene

1-methyl-4-[(4-methylphenoxy)-prop-2-enylphosphoryl]oxybenzene (PubChem CID 87155254) has the molecular formula C17H19O3P and a molecular weight of 302.31 g/mol. Its IUPAC name is 1-methyl-4-[(4-methylphenoxy)-prop-2-enylphosphoryl]oxybenzene.

Molecular Properties

Compound Name1-methyl-4-[(4-methylphenoxy)-prop-2-enylphosphoryl]oxybenzene
PubChem CID87155254
Molecular FormulaC17H19O3P
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name1-methyl-4-[(4-methylphenoxy)-prop-2-enylphosphoryl]oxybenzene
SMILESC=CCP(=O)(Oc1ccc(C)cc1)Oc1ccc(C)cc1
InChIInChI=1S/C17H19O3P/c1-4-13-21(18,19-16-9-5-14(2)6-10-16)20-17-11-7-15(3)8-12-17/h4-12H,1,13H2,2-3H3
InChIKeyWRKQFBZODRCODR-UHFFFAOYSA-N
XLogP5.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.31
LogP ≤ 55.14
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

4-[(4-hydroxyphenoxy)-prop-2-enylphosphoryl]oxyphenol
CID 88768896
[methoxy(prop-2-enyl)phosphoryl]oxybenzene
CID 54095203
prop-1-ene;tris(4-methylphenyl) phosphate
CID 174447332
alumane;tris(4-methylphenyl) phosphate
CID 174515145
CID 67928069
CID 67928069
potassium;tris(4-methylphenyl) phosphate;hydroxide
CID 174496858
ethyl (2R)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate
CID 91195065
2-bis(4-methylphenoxy)phosphoryl-1-(hydroxyamino)ethanol
CID 175356506
magnesium;hydride;tris(4-methylphenyl) phosphate;hydrate
CID 174887433
bromosilver;tris(4-methylphenyl) phosphate
CID 160750734
1-methyl-4-[(4-methylphenoxy)-(4-methylphenyl)phosphoryl]oxybenzene
CID 54463296
guanidine;tris(4-methylphenyl) phosphate
CID 174666198

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-methylphenoxy)-prop-2-enylphosphoryl]oxybenzene?
The IUPAC name of 1-methyl-4-[(4-methylphenoxy)-prop-2-enylphosphoryl]oxybenzene (CID 87155254) is 1-methyl-4-[(4-methylphenoxy)-prop-2-enylphosphoryl]oxybenzene.
What is the SMILES notation for 1-methyl-4-[(4-methylphenoxy)-prop-2-enylphosphoryl]oxybenzene?
The canonical SMILES for 1-methyl-4-[(4-methylphenoxy)-prop-2-enylphosphoryl]oxybenzene is C=CCP(=O)(Oc1ccc(C)cc1)Oc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(4-methylphenoxy)-prop-2-enylphosphoryl]oxybenzene?
The InChIKey is WRKQFBZODRCODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O3P/c1-4-13-21(18,19-16-9-5-14(2)6-10-16)20-17-11-7-15(3)8-12-17/h4-12H,1,13H2,2-3H3.
What are the key properties of 1-methyl-4-[(4-methylphenoxy)-prop-2-enylphosphoryl]oxybenzene?
1-methyl-4-[(4-methylphenoxy)-prop-2-enylphosphoryl]oxybenzene has a molecular weight of 302.31 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-methylphenoxy)-prop-2-enylphosphoryl]oxybenzene is sourced from PubChem (CID 87155254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).