benzyl methylphosphanylformate

C9H11O2P — CID 146418354

IUPACbenzyl methylphosphanylformate
SMILESCPC(=O)OCc1ccccc1
InChIInChI=1S/C9H11O2P/c1-12-9(10)11-7-8-5-3-2-4-6-8/h2-6,12H,7H2,1H3
InChIKeyNXCPUELPKJLSCD-UHFFFAOYSA-N
MW182.16 g/mol
LogP2.63
Rot. Bonds3

About benzyl methylphosphanylformate

benzyl methylphosphanylformate (PubChem CID 146418354) has the molecular formula C9H11O2P and a molecular weight of 182.16 g/mol. Its IUPAC name is benzyl methylphosphanylformate.

Molecular Properties

Compound Namebenzyl methylphosphanylformate
PubChem CID146418354
Molecular FormulaC9H11O2P
Molecular Weight182.16 g/mol
Exact Mass182.05
IUPAC Namebenzyl methylphosphanylformate
SMILESCPC(=O)OCc1ccccc1
InChIInChI=1S/C9H11O2P/c1-12-9(10)11-7-8-5-3-2-4-6-8/h2-6,12H,7H2,1H3
InChIKeyNXCPUELPKJLSCD-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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

benzyl acetate
CID 8785
benzyl N,N-dimethylcarbamate
CID 12963450
CID 174906307
CID 174906307
benzyl acetate;molecular nitrogen
CID 174861862
benzyl acetate;carbamic acid
CID 159542161
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl carbonochloridate
CID 10387
benzyl carbamate;heptahydrochloride
CID 141351835
benzyl propanoate;hydrochloride
CID 140986165
benzyl acetate;formonitrile
CID 175329925
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl N-acetyl-N-aminocarbamate
CID 67604274

Frequently Asked Questions

What is the IUPAC name of benzyl methylphosphanylformate?
The IUPAC name of benzyl methylphosphanylformate (CID 146418354) is benzyl methylphosphanylformate.
What is the SMILES notation for benzyl methylphosphanylformate?
The canonical SMILES for benzyl methylphosphanylformate is CPC(=O)OCc1ccccc1.
What is the InChIKey of benzyl methylphosphanylformate?
The InChIKey is NXCPUELPKJLSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2P/c1-12-9(10)11-7-8-5-3-2-4-6-8/h2-6,12H,7H2,1H3.
What are the key properties of benzyl methylphosphanylformate?
benzyl methylphosphanylformate has a molecular weight of 182.16 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl methylphosphanylformate is sourced from PubChem (CID 146418354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).