1-[ethoxy(phenyl)phosphoryl]oxyethenylbenzene

C16H17O3P — CID 12036052

IUPAC1-[ethoxy(phenyl)phosphoryl]oxyethenylbenzene
SMILESC=C(OP(=O)(OCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17O3P/c1-3-18-20(17,16-12-8-5-9-13-16)19-14(2)15-10-6-4-7-11-15/h4-13H,2-3H2,1H3
InChIKeyAQJIRHNHPKDPPF-UHFFFAOYSA-N
MW288.28 g/mol
LogP4.23
Rot. Bonds6

About 1-[ethoxy(phenyl)phosphoryl]oxyethenylbenzene

1-[ethoxy(phenyl)phosphoryl]oxyethenylbenzene (PubChem CID 12036052) has the molecular formula C16H17O3P and a molecular weight of 288.28 g/mol. Its IUPAC name is 1-[ethoxy(phenyl)phosphoryl]oxyethenylbenzene.

Molecular Properties

Compound Name1-[ethoxy(phenyl)phosphoryl]oxyethenylbenzene
PubChem CID12036052
Molecular FormulaC16H17O3P
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name1-[ethoxy(phenyl)phosphoryl]oxyethenylbenzene
SMILESC=C(OP(=O)(OCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17O3P/c1-3-18-20(17,16-12-8-5-9-13-16)19-14(2)15-10-6-4-7-11-15/h4-13H,2-3H2,1H3
InChIKeyAQJIRHNHPKDPPF-UHFFFAOYSA-N
XLogP4.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-Ethylhexyl diphenyl phosphate
CID 14716
Dibenzyl phosphate
CID 74189
Tribenzyl phosphate
CID 74359
Diethyl (hydroxy(phenyl)methyl)phosphonate
CID 238674
Benzyl diethyl phosphite
CID 76006
Dibutyl 2,2,2-trifluoro-1-phenylethyl phosphate
CID 14026658
Diethyl 2,2,2-trifluoro-1-phenylethyl phosphate
CID 14026656
Dicyclohexyl (hydroxy(phenyl)methyl)phosphonate
CID 3493139
Benzyl diphenylphosphinate
CID 298803
2,2,3,3,4,4,4-Heptafluoro-1-phenylbutyl hydrogen phenylphosphonate
CID 2897885
Phosphinic acid, bis(hydroxyphenylmethyl)-
CID 120172
Phosphoric acid, 2-chloro-1-phenylvinyl diethyl ester
CID 6445756

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(phenyl)phosphoryl]oxyethenylbenzene?
The IUPAC name of 1-[ethoxy(phenyl)phosphoryl]oxyethenylbenzene (CID 12036052) is 1-[ethoxy(phenyl)phosphoryl]oxyethenylbenzene.
What is the SMILES notation for 1-[ethoxy(phenyl)phosphoryl]oxyethenylbenzene?
The canonical SMILES for 1-[ethoxy(phenyl)phosphoryl]oxyethenylbenzene is C=C(OP(=O)(OCC)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[ethoxy(phenyl)phosphoryl]oxyethenylbenzene?
The InChIKey is AQJIRHNHPKDPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O3P/c1-3-18-20(17,16-12-8-5-9-13-16)19-14(2)15-10-6-4-7-11-15/h4-13H,2-3H2,1H3.
What are the key properties of 1-[ethoxy(phenyl)phosphoryl]oxyethenylbenzene?
1-[ethoxy(phenyl)phosphoryl]oxyethenylbenzene has a molecular weight of 288.28 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(phenyl)phosphoryl]oxyethenylbenzene is sourced from PubChem (CID 12036052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).