2-(2-diethylphosphorylethenoxy)ethylbenzene

C14H21O2P — CID 71326502

IUPAC2-(2-diethylphosphorylethenoxy)ethylbenzene
SMILESCCP(=O)(C=COCCc1ccccc1)CC
InChIInChI=1S/C14H21O2P/c1-3-17(15,4-2)13-12-16-11-10-14-8-6-5-7-9-14/h5-9,12-13H,3-4,10-11H2,1-2H3
InChIKeyIVXMFTPOEXOJJR-UHFFFAOYSA-N
MW252.29 g/mol
LogP4.12
Rot. Bonds7

About 2-(2-diethylphosphorylethenoxy)ethylbenzene

2-(2-diethylphosphorylethenoxy)ethylbenzene (PubChem CID 71326502) has the molecular formula C14H21O2P and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-(2-diethylphosphorylethenoxy)ethylbenzene.

Molecular Properties

Compound Name2-(2-diethylphosphorylethenoxy)ethylbenzene
PubChem CID71326502
Molecular FormulaC14H21O2P
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-(2-diethylphosphorylethenoxy)ethylbenzene
SMILESCCP(=O)(C=COCCc1ccccc1)CC
InChIInChI=1S/C14H21O2P/c1-3-17(15,4-2)13-12-16-11-10-14-8-6-5-7-9-14/h5-9,12-13H,3-4,10-11H2,1-2H3
InChIKeyIVXMFTPOEXOJJR-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-ethyl-N-methyl-2-(2-phenylethoxy)ethenamine
CID 153469242
2-phenylethoxymethylidenetungsten
CID 166530687
dimethyl-(2-phenylethoxy)-sulfanylidene-λ5-phosphane
CID 58637364
2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene
CID 87083912
2-methoxyethylbenzene
CID 19089
2-[ethoxy(methyl)phosphoryl]ethylbenzene
CID 141455877
2-dichlorophosphorylethenoxymethylbenzene
CID 71442996
2-methylperoxyethylbenzene;propanal
CID 91084545
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
2-diethoxyphosphorylethylbenzene
CID 3448525
CID 58731637
CID 58731637
methanamine;2-(2-phenylethoxy)acetaldehyde
CID 156720060

Frequently Asked Questions

What is the IUPAC name of 2-(2-diethylphosphorylethenoxy)ethylbenzene?
The IUPAC name of 2-(2-diethylphosphorylethenoxy)ethylbenzene (CID 71326502) is 2-(2-diethylphosphorylethenoxy)ethylbenzene.
What is the SMILES notation for 2-(2-diethylphosphorylethenoxy)ethylbenzene?
The canonical SMILES for 2-(2-diethylphosphorylethenoxy)ethylbenzene is CCP(=O)(C=COCCc1ccccc1)CC.
What is the InChIKey of 2-(2-diethylphosphorylethenoxy)ethylbenzene?
The InChIKey is IVXMFTPOEXOJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21O2P/c1-3-17(15,4-2)13-12-16-11-10-14-8-6-5-7-9-14/h5-9,12-13H,3-4,10-11H2,1-2H3.
What are the key properties of 2-(2-diethylphosphorylethenoxy)ethylbenzene?
2-(2-diethylphosphorylethenoxy)ethylbenzene has a molecular weight of 252.29 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diethylphosphorylethenoxy)ethylbenzene is sourced from PubChem (CID 71326502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).