ethylphosphanyl benzoate

C9H11O2P — CID 70434522

IUPACethylphosphanyl benzoate
SMILESCCPOC(=O)c1ccccc1
InChIInChI=1S/C9H11O2P/c1-2-12-11-9(10)8-6-4-3-5-7-8/h3-7,12H,2H2,1H3
InChIKeyUSBYGFDUJKSMIK-UHFFFAOYSA-N
MW182.16 g/mol
LogP2.46
Rot. Bonds3

About ethylphosphanyl benzoate

ethylphosphanyl benzoate (PubChem CID 70434522) has the molecular formula C9H11O2P and a molecular weight of 182.16 g/mol. Its IUPAC name is ethylphosphanyl benzoate.

Molecular Properties

Compound Nameethylphosphanyl benzoate
PubChem CID70434522
Molecular FormulaC9H11O2P
Molecular Weight182.16 g/mol
Exact Mass182.05
IUPAC Nameethylphosphanyl benzoate
SMILESCCPOC(=O)c1ccccc1
InChIInChI=1S/C9H11O2P/c1-2-12-11-9(10)8-6-4-3-5-7-8/h3-7,12H,2H2,1H3
InChIKeyUSBYGFDUJKSMIK-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 52.46
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

benzoyloxyphosphinous acid
CID 175318524
benzenecarboperoxoic acid;propane
CID 87106834
CID 158970570
CID 158970570
pent-1-en-2-yl benzoate
CID 13444592
hexyl benzoate
CID 23235
methanol;pentyl benzoate
CID 175222419
benzoyl benzoate;N,N-dimethylethanamine
CID 174532013
ethylsulfanyl benzoate
CID 118035697
(tetraethyl-λ5-phosphanyl) benzoate
CID 66884387
ethyl benzoate;toluene
CID 23150750
chloroethane;ethyl benzoate
CID 91175503
methyl benzoate;pentane
CID 142510193

Frequently Asked Questions

What is the IUPAC name of ethylphosphanyl benzoate?
The IUPAC name of ethylphosphanyl benzoate (CID 70434522) is ethylphosphanyl benzoate.
What is the SMILES notation for ethylphosphanyl benzoate?
The canonical SMILES for ethylphosphanyl benzoate is CCPOC(=O)c1ccccc1.
What is the InChIKey of ethylphosphanyl benzoate?
The InChIKey is USBYGFDUJKSMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2P/c1-2-12-11-9(10)8-6-4-3-5-7-8/h3-7,12H,2H2,1H3.
What are the key properties of ethylphosphanyl benzoate?
ethylphosphanyl benzoate has a molecular weight of 182.16 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylphosphanyl benzoate is sourced from PubChem (CID 70434522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).