methyl [bis(methoxycarbonyl)-(phenylhydrazinylidene)-λ5-phosphanyl]formate

C12H15N2O6P — CID 100991454

IUPACmethyl [bis(methoxycarbonyl)-(phenylhydrazinylidene)-λ5-phosphanyl]formate
SMILESCOC(=O)P(=NNc1ccccc1)(C(=O)OC)C(=O)OC
InChIInChI=1S/C12H15N2O6P/c1-18-10(15)21(11(16)19-2,12(17)20-3)14-13-9-7-5-4-6-8-9/h4-8,13H,1-3H3
InChIKeyBUAMUFFZFQLESP-UHFFFAOYSA-N
MW314.23 g/mol
LogP3.51
Rot. Bonds5

About methyl [bis(methoxycarbonyl)-(phenylhydrazinylidene)-λ5-phosphanyl]formate

methyl [bis(methoxycarbonyl)-(phenylhydrazinylidene)-λ5-phosphanyl]formate (PubChem CID 100991454) has the molecular formula C12H15N2O6P and a molecular weight of 314.23 g/mol. Its IUPAC name is methyl [bis(methoxycarbonyl)-(phenylhydrazinylidene)-λ5-phosphanyl]formate.

Molecular Properties

Compound Namemethyl [bis(methoxycarbonyl)-(phenylhydrazinylidene)-λ5-phosphanyl]formate
PubChem CID100991454
Molecular FormulaC12H15N2O6P
Molecular Weight314.23 g/mol
Exact Mass314.07
IUPAC Namemethyl [bis(methoxycarbonyl)-(phenylhydrazinylidene)-λ5-phosphanyl]formate
SMILESCOC(=O)P(=NNc1ccccc1)(C(=O)OC)C(=O)OC
InChIInChI=1S/C12H15N2O6P/c1-18-10(15)21(11(16)19-2,12(17)20-3)14-13-9-7-5-4-6-8-9/h4-8,13H,1-3H3
InChIKeyBUAMUFFZFQLESP-UHFFFAOYSA-N
XLogP3.51
TPSA103.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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carbon dioxide;methyl 2-phenylacetate
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(1E)-N-phenylethanehydrazonoyl fluoride
CID 118400249
hexakis(methyl 2-phenylacetate);hexakis(N-phenylacetamide)
CID 174503010
benzene;N-methoxyaniline
CID 159505017
N'-anilino-2-oxopropanimidamide
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methyl (E,4Z)-4-phenyl-4-(phenylhydrazinylidene)but-2-enoate
CID 6076546
CID 172801156
CID 172801156
isocyanic acid;N-methoxyaniline
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2-[3-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of methyl [bis(methoxycarbonyl)-(phenylhydrazinylidene)-λ5-phosphanyl]formate?
The IUPAC name of methyl [bis(methoxycarbonyl)-(phenylhydrazinylidene)-λ5-phosphanyl]formate (CID 100991454) is methyl [bis(methoxycarbonyl)-(phenylhydrazinylidene)-λ5-phosphanyl]formate.
What is the SMILES notation for methyl [bis(methoxycarbonyl)-(phenylhydrazinylidene)-λ5-phosphanyl]formate?
The canonical SMILES for methyl [bis(methoxycarbonyl)-(phenylhydrazinylidene)-λ5-phosphanyl]formate is COC(=O)P(=NNc1ccccc1)(C(=O)OC)C(=O)OC.
What is the InChIKey of methyl [bis(methoxycarbonyl)-(phenylhydrazinylidene)-λ5-phosphanyl]formate?
The InChIKey is BUAMUFFZFQLESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N2O6P/c1-18-10(15)21(11(16)19-2,12(17)20-3)14-13-9-7-5-4-6-8-9/h4-8,13H,1-3H3.
What are the key properties of methyl [bis(methoxycarbonyl)-(phenylhydrazinylidene)-λ5-phosphanyl]formate?
methyl [bis(methoxycarbonyl)-(phenylhydrazinylidene)-λ5-phosphanyl]formate has a molecular weight of 314.23 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [bis(methoxycarbonyl)-(phenylhydrazinylidene)-λ5-phosphanyl]formate is sourced from PubChem (CID 100991454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).