chloro-[(1-methoxy-1-oxopropan-2-yl)-phenoxyamino]-oxophosphanium

C10H12ClNO4P+ — CID 87166920

IUPACchloro-[(1-methoxy-1-oxopropan-2-yl)-phenoxyamino]-oxophosphanium
SMILESCOC(=O)C(C)N(Oc1ccccc1)[P+](=O)Cl
InChIInChI=1S/C10H12ClNO4P/c1-8(10(13)15-2)12(17(11)14)16-9-6-4-3-5-7-9/h3-8H,1-2H3/q+1
InChIKeyTURPTQSGLAJFIE-UHFFFAOYSA-N
MW276.64 g/mol
LogP2.74
Rot. Bonds5

About chloro-[(1-methoxy-1-oxopropan-2-yl)-phenoxyamino]-oxophosphanium

chloro-[(1-methoxy-1-oxopropan-2-yl)-phenoxyamino]-oxophosphanium (PubChem CID 87166920) has the molecular formula C10H12ClNO4P+ and a molecular weight of 276.64 g/mol. Its IUPAC name is chloro-[(1-methoxy-1-oxopropan-2-yl)-phenoxyamino]-oxophosphanium.

Molecular Properties

Compound Namechloro-[(1-methoxy-1-oxopropan-2-yl)-phenoxyamino]-oxophosphanium
PubChem CID87166920
Molecular FormulaC10H12ClNO4P+
Molecular Weight276.64 g/mol
Exact Mass276.02
IUPAC Namechloro-[(1-methoxy-1-oxopropan-2-yl)-phenoxyamino]-oxophosphanium
SMILESCOC(=O)C(C)N(Oc1ccccc1)[P+](=O)Cl
InChIInChI=1S/C10H12ClNO4P/c1-8(10(13)15-2)12(17(11)14)16-9-6-4-3-5-7-9/h3-8H,1-2H3/q+1
InChIKeyTURPTQSGLAJFIE-UHFFFAOYSA-N
XLogP2.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.64
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-carboxyethyl(phenoxy)amino]-(4-chlorophenoxy)-oxophosphanium
CID 175129582
methyl 2-(N-aminoanilino)propanoate
CID 11159863
methyl 3-chloro-2-hydroxy-3-phenylpropanoate
CID 20606306
methyl 2-chloro-3-phenylbutanoate
CID 62225465
1-phenoxy-1-propan-2-ylhydrazine
CID 141047456
phenyl (2S)-2-methoxypropanoate
CID 12621314
methyl (2S)-2-[acetyl(benzyl)amino]propanoate
CID 75437880
methyl 2-[[chloro(phenoxy)phosphanyl]amino]propanoate
CID 123530665
phenyl 2-(hydroxyamino)propanoate
CID 88707618
methoxycarbonyl 2-phenoxypropanoate
CID 174370299
methyl (2S)-3-[chloro(phenoxy)phosphoryl]-2-methylpropanoate
CID 58475101
methyl 2-[2-aminopropanoyl(benzyl)amino]propanoate
CID 76625736

Frequently Asked Questions

What is the IUPAC name of chloro-[(1-methoxy-1-oxopropan-2-yl)-phenoxyamino]-oxophosphanium?
The IUPAC name of chloro-[(1-methoxy-1-oxopropan-2-yl)-phenoxyamino]-oxophosphanium (CID 87166920) is chloro-[(1-methoxy-1-oxopropan-2-yl)-phenoxyamino]-oxophosphanium.
What is the SMILES notation for chloro-[(1-methoxy-1-oxopropan-2-yl)-phenoxyamino]-oxophosphanium?
The canonical SMILES for chloro-[(1-methoxy-1-oxopropan-2-yl)-phenoxyamino]-oxophosphanium is COC(=O)C(C)N(Oc1ccccc1)[P+](=O)Cl.
What is the InChIKey of chloro-[(1-methoxy-1-oxopropan-2-yl)-phenoxyamino]-oxophosphanium?
The InChIKey is TURPTQSGLAJFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4P/c1-8(10(13)15-2)12(17(11)14)16-9-6-4-3-5-7-9/h3-8H,1-2H3/q+1.
What are the key properties of chloro-[(1-methoxy-1-oxopropan-2-yl)-phenoxyamino]-oxophosphanium?
chloro-[(1-methoxy-1-oxopropan-2-yl)-phenoxyamino]-oxophosphanium has a molecular weight of 276.64 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(1-methoxy-1-oxopropan-2-yl)-phenoxyamino]-oxophosphanium is sourced from PubChem (CID 87166920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).