(2-diazo-2-dimethoxyphosphorylethyl)benzene

C10H13N2O3P — CID 14789373

IUPAC(2-diazo-2-dimethoxyphosphorylethyl)benzene
SMILESCOP(=O)(OC)C(Cc1ccccc1)=[N+]=[N-]
InChIInChI=1S/C10H13N2O3P/c1-14-16(13,15-2)10(12-11)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyICBMSLXSRFXWSU-UHFFFAOYSA-N
MW240.20 g/mol
LogP2.34
Rot. Bonds5

About (2-diazo-2-dimethoxyphosphorylethyl)benzene

(2-diazo-2-dimethoxyphosphorylethyl)benzene (PubChem CID 14789373) has the molecular formula C10H13N2O3P and a molecular weight of 240.20 g/mol. Its IUPAC name is (2-diazo-2-dimethoxyphosphorylethyl)benzene.

Molecular Properties

Compound Name(2-diazo-2-dimethoxyphosphorylethyl)benzene
PubChem CID14789373
Molecular FormulaC10H13N2O3P
Molecular Weight240.20 g/mol
Exact Mass240.07
IUPAC Name(2-diazo-2-dimethoxyphosphorylethyl)benzene
SMILESCOP(=O)(OC)C(Cc1ccccc1)=[N+]=[N-]
InChIInChI=1S/C10H13N2O3P/c1-14-16(13,15-2)10(12-11)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyICBMSLXSRFXWSU-UHFFFAOYSA-N
XLogP2.34
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(3-diazo-3-dimethoxyphosphorylpropyl)benzene
CID 24975952
2-diazo-2-[methoxy(2-phenylethoxy)phosphoryl]acetic acid
CID 136929366
1-[2-[(N-benzylanilino)methyl]phenyl]-2-diazo-2-dimethoxyphosphorylethanone
CID 85347022
1-[methoxy(phenyl)phosphoryl]-2-phenylethanone
CID 86255472
(NE)-N-[1-[methoxy(methyl)phosphoryl]-2-phenylethylidene]hydroxylamine
CID 92531582
1-dimethoxyphosphoryl-5-phenylpentan-1-one
CID 118861235
(3-benzylfuran-2-yl)-dimethoxyphosphorylmethanone
CID 24807000
1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one
CID 86202371
1-diazoethyl 2-phenylacetate
CID 150206878
(E)-1-dimethoxyphosphoryl-2-phenylethenol
CID 14736137
phenyl 2-diazo-3-phenylpropanoate
CID 175187797
(1-methoxy-2-phenylethylidene)azanium chloride
CID 44725554

Frequently Asked Questions

What is the IUPAC name of (2-diazo-2-dimethoxyphosphorylethyl)benzene?
The IUPAC name of (2-diazo-2-dimethoxyphosphorylethyl)benzene (CID 14789373) is (2-diazo-2-dimethoxyphosphorylethyl)benzene.
What is the SMILES notation for (2-diazo-2-dimethoxyphosphorylethyl)benzene?
The canonical SMILES for (2-diazo-2-dimethoxyphosphorylethyl)benzene is COP(=O)(OC)C(Cc1ccccc1)=[N+]=[N-].
What is the InChIKey of (2-diazo-2-dimethoxyphosphorylethyl)benzene?
The InChIKey is ICBMSLXSRFXWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2O3P/c1-14-16(13,15-2)10(12-11)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of (2-diazo-2-dimethoxyphosphorylethyl)benzene?
(2-diazo-2-dimethoxyphosphorylethyl)benzene has a molecular weight of 240.20 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diazo-2-dimethoxyphosphorylethyl)benzene is sourced from PubChem (CID 14789373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).