benzyl ethyl methyl phosphate

C10H15O4P — CID 152677778

IUPACbenzyl ethyl methyl phosphate
SMILESCCOP(=O)(OC)OCc1ccccc1
InChIInChI=1S/C10H15O4P/c1-3-13-15(11,12-2)14-9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKeyZMWOAHWGYGXVNT-UHFFFAOYSA-N
MW230.20 g/mol
LogP2.99
Rot. Bonds6

About benzyl ethyl methyl phosphate

benzyl ethyl methyl phosphate (PubChem CID 152677778) has the molecular formula C10H15O4P and a molecular weight of 230.20 g/mol. Its IUPAC name is benzyl ethyl methyl phosphate.

Molecular Properties

Compound Namebenzyl ethyl methyl phosphate
PubChem CID152677778
Molecular FormulaC10H15O4P
Molecular Weight230.20 g/mol
Exact Mass230.07
IUPAC Namebenzyl ethyl methyl phosphate
SMILESCCOP(=O)(OC)OCc1ccccc1
InChIInChI=1S/C10H15O4P/c1-3-13-15(11,12-2)14-9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKeyZMWOAHWGYGXVNT-UHFFFAOYSA-N
XLogP2.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl hexadecyl methyl phosphate
CID 57042032
[ethoxy(phenylmethoxy)phosphoryl] prop-2-enoate
CID 174418871
benzyl [(2S)-2,3-dibutoxypropyl] methyl phosphate
CID 129410197
dibenzyl chloromethyl phosphate;ethane
CID 144742868
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
benzyl 2,3-dioctoxypropyl methyl phosphate
CID 10505557
benzyl dihydrogen phosphate;ethoxyethane
CID 67119526
diethyl (3-fluorophenyl)methyl phosphate
CID 68974246
benzyl bis(ethenyl) phosphate
CID 141056267
dibenzyl benzylperoxymethyl phosphate
CID 138564478
N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine
CID 13438203
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848

Frequently Asked Questions

What is the IUPAC name of benzyl ethyl methyl phosphate?
The IUPAC name of benzyl ethyl methyl phosphate (CID 152677778) is benzyl ethyl methyl phosphate.
What is the SMILES notation for benzyl ethyl methyl phosphate?
The canonical SMILES for benzyl ethyl methyl phosphate is CCOP(=O)(OC)OCc1ccccc1.
What is the InChIKey of benzyl ethyl methyl phosphate?
The InChIKey is ZMWOAHWGYGXVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O4P/c1-3-13-15(11,12-2)14-9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3.
What are the key properties of benzyl ethyl methyl phosphate?
benzyl ethyl methyl phosphate has a molecular weight of 230.20 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl ethyl methyl phosphate is sourced from PubChem (CID 152677778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).