2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene

C12H19O3P — CID 87083912

IUPAC2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene
SMILESCCOP(=O)(CC)OCCc1ccccc1
InChIInChI=1S/C12H19O3P/c1-3-14-16(13,4-2)15-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyGIDNAZIZQQQNRX-UHFFFAOYSA-N
MW242.26 g/mol
LogP3.50
Rot. Bonds7

About 2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene

2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene (PubChem CID 87083912) has the molecular formula C12H19O3P and a molecular weight of 242.26 g/mol. Its IUPAC name is 2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene.

Molecular Properties

Compound Name2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene
PubChem CID87083912
Molecular FormulaC12H19O3P
Molecular Weight242.26 g/mol
Exact Mass242.11
IUPAC Name2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene
SMILESCCOP(=O)(CC)OCCc1ccccc1
InChIInChI=1S/C12H19O3P/c1-3-14-16(13,4-2)15-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyGIDNAZIZQQQNRX-UHFFFAOYSA-N
XLogP3.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-diethoxyphosphorylethylbenzene
CID 3448525
2-[ethoxy(methyl)phosphoryl]ethylbenzene
CID 141455877
1-diethoxyphosphoryl-N-phenylmethoxymethanamine
CID 11832560
4,4-bis(diethoxyphosphoryl)butylbenzene
CID 10150860
1-diethoxyphosphoryl-3-phenylpropan-1-ol
CID 12930490
dimethyl-(2-phenylethoxy)-sulfanylidene-λ5-phosphane
CID 58637364
4-(2-diethoxyphosphorylethyl)-N,N-diphenylaniline
CID 170420991
2-methoxyethylbenzene
CID 19089
N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride
CID 23298000
[(3R)-3-diethoxyphosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane
CID 166637256
3-[butyl(octoxy)phosphoryl]oxypropylbenzene
CID 91710244
(1-diethoxyphosphoryl-3-phenylpropyl) diethyl phosphate
CID 10454120

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene?
The IUPAC name of 2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene (CID 87083912) is 2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene.
What is the SMILES notation for 2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene?
The canonical SMILES for 2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene is CCOP(=O)(CC)OCCc1ccccc1.
What is the InChIKey of 2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene?
The InChIKey is GIDNAZIZQQQNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O3P/c1-3-14-16(13,4-2)15-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of 2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene?
2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene has a molecular weight of 242.26 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene is sourced from PubChem (CID 87083912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).