ethoxy-[3-(2-phenylethenyl)-2H-indazol-5-yl]phosphinic acid

C17H17N2O3P — CID 91355166

IUPACethoxy-[3-(2-phenylethenyl)-2H-indazol-5-yl]phosphinic acid
SMILESCCOP(=O)(O)c1ccc2n[nH]c(C=Cc3ccccc3)c2c1
InChIInChI=1S/C17H17N2O3P/c1-2-22-23(20,21)14-9-11-17-15(12-14)16(18-19-17)10-8-13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyWMKCTCAVKKFBRY-UHFFFAOYSA-N
MW328.31 g/mol
LogP3.58
Rot. Bonds5

About ethoxy-[3-(2-phenylethenyl)-2H-indazol-5-yl]phosphinic acid

ethoxy-[3-(2-phenylethenyl)-2H-indazol-5-yl]phosphinic acid (PubChem CID 91355166) has the molecular formula C17H17N2O3P and a molecular weight of 328.31 g/mol. Its IUPAC name is ethoxy-[3-(2-phenylethenyl)-2H-indazol-5-yl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[3-(2-phenylethenyl)-2H-indazol-5-yl]phosphinic acid
PubChem CID91355166
Molecular FormulaC17H17N2O3P
Molecular Weight328.31 g/mol
Exact Mass328.10
IUPAC Nameethoxy-[3-(2-phenylethenyl)-2H-indazol-5-yl]phosphinic acid
SMILESCCOP(=O)(O)c1ccc2n[nH]c(C=Cc3ccccc3)c2c1
InChIInChI=1S/C17H17N2O3P/c1-2-22-23(20,21)14-9-11-17-15(12-14)16(18-19-17)10-8-13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyWMKCTCAVKKFBRY-UHFFFAOYSA-N
XLogP3.58
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-bis(2-phenylethenyl)-2H-indazole
CID 69468999
1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone
CID 123456736
[(1E,3E)-2-diethoxyphosphoryl-4-phenylbuta-1,3-dienyl] acetate
CID 11120882
[(1E,3Z)-4-diethoxyphosphoryl-4-fluorobuta-1,3-dienyl]benzene
CID 135002683
ethyl 3-[(E)-2-(2,4-dimethylphenyl)ethenyl]-2H-indazole-5-carboxylate
CID 163472761
1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 71366492
(E,1S)-1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 12543687
N-cyclopropyl-4-methoxy-3-(2-phenylethenyl)-2H-indazole-5-carboxamide
CID 136648690
anthracen-9-yl(ethoxy)phosphinic acid
CID 102403899
ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium
CID 156734946
[(Z)-1-diethoxyphosphorylprop-1-enyl]benzene
CID 15103917
1-[5-(2-phenylethenyl)-1H-pyrazol-3-yl]propan-1-one
CID 4558473

Frequently Asked Questions

What is the IUPAC name of ethoxy-[3-(2-phenylethenyl)-2H-indazol-5-yl]phosphinic acid?
The IUPAC name of ethoxy-[3-(2-phenylethenyl)-2H-indazol-5-yl]phosphinic acid (CID 91355166) is ethoxy-[3-(2-phenylethenyl)-2H-indazol-5-yl]phosphinic acid.
What is the SMILES notation for ethoxy-[3-(2-phenylethenyl)-2H-indazol-5-yl]phosphinic acid?
The canonical SMILES for ethoxy-[3-(2-phenylethenyl)-2H-indazol-5-yl]phosphinic acid is CCOP(=O)(O)c1ccc2n[nH]c(C=Cc3ccccc3)c2c1.
What is the InChIKey of ethoxy-[3-(2-phenylethenyl)-2H-indazol-5-yl]phosphinic acid?
The InChIKey is WMKCTCAVKKFBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N2O3P/c1-2-22-23(20,21)14-9-11-17-15(12-14)16(18-19-17)10-8-13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of ethoxy-[3-(2-phenylethenyl)-2H-indazol-5-yl]phosphinic acid?
ethoxy-[3-(2-phenylethenyl)-2H-indazol-5-yl]phosphinic acid has a molecular weight of 328.31 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[3-(2-phenylethenyl)-2H-indazol-5-yl]phosphinic acid is sourced from PubChem (CID 91355166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).