(3-diazo-3-dimethoxyphosphorylpropyl)benzene

C11H15N2O3P — CID 24975952

IUPAC(3-diazo-3-dimethoxyphosphorylpropyl)benzene
SMILESCOP(=O)(OC)C(CCc1ccccc1)=[N+]=[N-]
InChIInChI=1S/C11H15N2O3P/c1-15-17(14,16-2)11(13-12)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyZOHMJBVDYJJKDK-UHFFFAOYSA-N
MW254.23 g/mol
LogP2.73
Rot. Bonds6

About (3-diazo-3-dimethoxyphosphorylpropyl)benzene

(3-diazo-3-dimethoxyphosphorylpropyl)benzene (PubChem CID 24975952) has the molecular formula C11H15N2O3P and a molecular weight of 254.23 g/mol. Its IUPAC name is (3-diazo-3-dimethoxyphosphorylpropyl)benzene.

Molecular Properties

Compound Name(3-diazo-3-dimethoxyphosphorylpropyl)benzene
PubChem CID24975952
Molecular FormulaC11H15N2O3P
Molecular Weight254.23 g/mol
Exact Mass254.08
IUPAC Name(3-diazo-3-dimethoxyphosphorylpropyl)benzene
SMILESCOP(=O)(OC)C(CCc1ccccc1)=[N+]=[N-]
InChIInChI=1S/C11H15N2O3P/c1-15-17(14,16-2)11(13-12)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyZOHMJBVDYJJKDK-UHFFFAOYSA-N
XLogP2.73
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 52.73
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

(2-diazo-2-dimethoxyphosphorylethyl)benzene
CID 14789373
2-diazo-2-[methoxy(2-phenylethoxy)phosphoryl]acetic acid
CID 136929366
1-dimethoxyphosphoryl-5-phenylpentan-1-one
CID 118861235
methyl 2-diazo-5-phenylpentanoate
CID 74317102
1-diazo-1-dimethoxyphosphoryl-4-(4-methoxyphenyl)butan-2-one
CID 101478123
2-diazo-4-phenylbutanoic acid
CID 137093485
methyl 3-oxo-6-phenylhexanoate
CID 12701554
(1-bromo-2-oxo-4-phenylbutyl) dimethyl phosphate
CID 88780381
1-diazo-1-(4-methoxyphenyl)-4-phenylbutan-2-one
CID 159299174
2-diazo-3-oxo-5-phenylpentanoic acid
CID 57109065
1-[2-[(N-benzylanilino)methyl]phenyl]-2-diazo-2-dimethoxyphosphorylethanone
CID 85347022
carbamoyl 3-phenylpropanoate
CID 56614916

Frequently Asked Questions

What is the IUPAC name of (3-diazo-3-dimethoxyphosphorylpropyl)benzene?
The IUPAC name of (3-diazo-3-dimethoxyphosphorylpropyl)benzene (CID 24975952) is (3-diazo-3-dimethoxyphosphorylpropyl)benzene.
What is the SMILES notation for (3-diazo-3-dimethoxyphosphorylpropyl)benzene?
The canonical SMILES for (3-diazo-3-dimethoxyphosphorylpropyl)benzene is COP(=O)(OC)C(CCc1ccccc1)=[N+]=[N-].
What is the InChIKey of (3-diazo-3-dimethoxyphosphorylpropyl)benzene?
The InChIKey is ZOHMJBVDYJJKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2O3P/c1-15-17(14,16-2)11(13-12)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of (3-diazo-3-dimethoxyphosphorylpropyl)benzene?
(3-diazo-3-dimethoxyphosphorylpropyl)benzene has a molecular weight of 254.23 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-diazo-3-dimethoxyphosphorylpropyl)benzene is sourced from PubChem (CID 24975952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).