2-[ethoxy(methyl)phosphoryl]ethylbenzene

C11H17O2P — CID 141455877

IUPAC2-[ethoxy(methyl)phosphoryl]ethylbenzene
SMILESCCOP(C)(=O)CCc1ccccc1
InChIInChI=1S/C11H17O2P/c1-3-13-14(2,12)10-9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChIKeyAAAKQQWSFBNFNF-UHFFFAOYSA-N
MW212.23 g/mol
LogP3.17
Rot. Bonds5

About 2-[ethoxy(methyl)phosphoryl]ethylbenzene

2-[ethoxy(methyl)phosphoryl]ethylbenzene (PubChem CID 141455877) has the molecular formula C11H17O2P and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-[ethoxy(methyl)phosphoryl]ethylbenzene.

Molecular Properties

Compound Name2-[ethoxy(methyl)phosphoryl]ethylbenzene
PubChem CID141455877
Molecular FormulaC11H17O2P
Molecular Weight212.23 g/mol
Exact Mass212.10
IUPAC Name2-[ethoxy(methyl)phosphoryl]ethylbenzene
SMILESCCOP(C)(=O)CCc1ccccc1
InChIInChI=1S/C11H17O2P/c1-3-13-14(2,12)10-9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChIKeyAAAKQQWSFBNFNF-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-diethoxyphosphorylethylbenzene
CID 3448525
1-diethoxyphosphoryl-3-phenylpropan-1-ol
CID 12930490
2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene
CID 87083912
4-(2-diethoxyphosphorylethyl)-N,N-diphenylaniline
CID 170420991
3-methylbutan-2-yl 4-[2-[ethoxy(methyl)phosphoryl]ethyl]benzoate
CID 122695164
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
N-[[ethoxy(methyl)phosphoryl]methyl]-N-methylaniline
CID 139617571
4,4-bis(diethoxyphosphoryl)butylbenzene
CID 10150860
butoxy(2-phenylethyl)phosphinic acid
CID 150976148
2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]ethylbenzene
CID 14248167
[chloro(ethoxy)phosphoryl]methylbenzene
CID 12634157
N-benzyl-N-diethoxyphosphorylethanamine
CID 13268716

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(methyl)phosphoryl]ethylbenzene?
The IUPAC name of 2-[ethoxy(methyl)phosphoryl]ethylbenzene (CID 141455877) is 2-[ethoxy(methyl)phosphoryl]ethylbenzene.
What is the SMILES notation for 2-[ethoxy(methyl)phosphoryl]ethylbenzene?
The canonical SMILES for 2-[ethoxy(methyl)phosphoryl]ethylbenzene is CCOP(C)(=O)CCc1ccccc1.
What is the InChIKey of 2-[ethoxy(methyl)phosphoryl]ethylbenzene?
The InChIKey is AAAKQQWSFBNFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O2P/c1-3-13-14(2,12)10-9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3.
What are the key properties of 2-[ethoxy(methyl)phosphoryl]ethylbenzene?
2-[ethoxy(methyl)phosphoryl]ethylbenzene has a molecular weight of 212.23 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(methyl)phosphoryl]ethylbenzene is sourced from PubChem (CID 141455877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).