1-[ethoxy(phenyl)phosphoryl]ethylbenzene

C16H19O2P — CID 11778094

IUPAC1-[ethoxy(phenyl)phosphoryl]ethylbenzene
SMILESCCOP(=O)(c1ccccc1)C(C)c1ccccc1
InChIInChI=1S/C16H19O2P/c1-3-18-19(17,16-12-8-5-9-13-16)14(2)15-10-6-4-7-11-15/h4-14H,3H2,1-2H3
InChIKeySZGPWTSWANLMOR-UHFFFAOYSA-N
MW274.30 g/mol
LogP4.39
Rot. Bonds5

About 1-[ethoxy(phenyl)phosphoryl]ethylbenzene

1-[ethoxy(phenyl)phosphoryl]ethylbenzene (PubChem CID 11778094) has the molecular formula C16H19O2P and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-[ethoxy(phenyl)phosphoryl]ethylbenzene.

Molecular Properties

Compound Name1-[ethoxy(phenyl)phosphoryl]ethylbenzene
PubChem CID11778094
Molecular FormulaC16H19O2P
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name1-[ethoxy(phenyl)phosphoryl]ethylbenzene
SMILESCCOP(=O)(c1ccccc1)C(C)c1ccccc1
InChIInChI=1S/C16H19O2P/c1-3-18-19(17,16-12-8-5-9-13-16)14(2)15-10-6-4-7-11-15/h4-14H,3H2,1-2H3
InChIKeySZGPWTSWANLMOR-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 54.39
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

1-[ethoxy(phenyl)phosphoryl]-3-methyl-N-[(1S)-1-phenylethyl]butan-1-amine
CID 101246297
[[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene
CID 10449767
2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol
CID 46220815
1-[ethoxy(phenyl)phosphoryl]-N-[(1S)-2-methoxy-1-phenylethyl]-3-methylbutan-1-amine
CID 101246300
[ethoxy-[[ethoxy(phenyl)phosphoryl]-[ethoxy(phenyl)phosphoryl]sulfanylmethyl]phosphoryl]benzene
CID 23280723
(R)-[ethoxy(phenyl)phosphoryl]-(4-fluorophenyl)methanol
CID 11860165
[(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene
CID 98516755
bis(diethoxyphosphoryl)methylbenzene
CID 11132243
diethyl [(1S)-1-phenylethyl] phosphate
CID 10945101
(2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one
CID 11861697
1-diethoxyphosphoryl-3-(difluoromethyl)benzene
CID 166609915
[[azido(diethoxyphosphoryl)methyl]-ethoxyphosphoryl]benzene
CID 21015356

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(phenyl)phosphoryl]ethylbenzene?
The IUPAC name of 1-[ethoxy(phenyl)phosphoryl]ethylbenzene (CID 11778094) is 1-[ethoxy(phenyl)phosphoryl]ethylbenzene.
What is the SMILES notation for 1-[ethoxy(phenyl)phosphoryl]ethylbenzene?
The canonical SMILES for 1-[ethoxy(phenyl)phosphoryl]ethylbenzene is CCOP(=O)(c1ccccc1)C(C)c1ccccc1.
What is the InChIKey of 1-[ethoxy(phenyl)phosphoryl]ethylbenzene?
The InChIKey is SZGPWTSWANLMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O2P/c1-3-18-19(17,16-12-8-5-9-13-16)14(2)15-10-6-4-7-11-15/h4-14H,3H2,1-2H3.
What are the key properties of 1-[ethoxy(phenyl)phosphoryl]ethylbenzene?
1-[ethoxy(phenyl)phosphoryl]ethylbenzene has a molecular weight of 274.30 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(phenyl)phosphoryl]ethylbenzene is sourced from PubChem (CID 11778094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).