(E)-2-hydroxy-1,2-bis(2-methoxyphenyl)ethenediazonium

C16H15N2O3+ — CID 11022356

IUPAC(E)-2-hydroxy-1,2-bis(2-methoxyphenyl)ethenediazonium
SMILESCOc1ccccc1/C(O)=C(\[N+]#N)c1ccccc1OC
InChIInChI=1S/C16H14N2O3/c1-20-13-9-5-3-7-11(13)15(18-17)16(19)12-8-4-6-10-14(12)21-2/h3-10H,1-2H3/p+1/b16-15+
InChIKeyIEMARHSBYBPVOA-FOCLMDBBSA-O
MW283.31 g/mol
LogP3.94
Rot. Bonds4

About (E)-2-hydroxy-1,2-bis(2-methoxyphenyl)ethenediazonium

(E)-2-hydroxy-1,2-bis(2-methoxyphenyl)ethenediazonium (PubChem CID 11022356) has the molecular formula C16H15N2O3+ and a molecular weight of 283.31 g/mol. Its IUPAC name is (E)-2-hydroxy-1,2-bis(2-methoxyphenyl)ethenediazonium.

Molecular Properties

Compound Name(E)-2-hydroxy-1,2-bis(2-methoxyphenyl)ethenediazonium
PubChem CID11022356
Molecular FormulaC16H15N2O3+
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name(E)-2-hydroxy-1,2-bis(2-methoxyphenyl)ethenediazonium
SMILESCOc1ccccc1/C(O)=C(\[N+]#N)c1ccccc1OC
InChIInChI=1S/C16H14N2O3/c1-20-13-9-5-3-7-11(13)15(18-17)16(19)12-8-4-6-10-14(12)21-2/h3-10H,1-2H3/p+1/b16-15+
InChIKeyIEMARHSBYBPVOA-FOCLMDBBSA-O
XLogP3.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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1-methoxy-2-[1-[1-(2-methoxyphenyl)ethenoxy]ethenyl]benzene
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2-methoxybenzoyl iodide
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CID 135043978
CID 135043978
2-methoxybenzoic acid;bis(propan-2-ol)
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Frequently Asked Questions

What is the IUPAC name of (E)-2-hydroxy-1,2-bis(2-methoxyphenyl)ethenediazonium?
The IUPAC name of (E)-2-hydroxy-1,2-bis(2-methoxyphenyl)ethenediazonium (CID 11022356) is (E)-2-hydroxy-1,2-bis(2-methoxyphenyl)ethenediazonium.
What is the SMILES notation for (E)-2-hydroxy-1,2-bis(2-methoxyphenyl)ethenediazonium?
The canonical SMILES for (E)-2-hydroxy-1,2-bis(2-methoxyphenyl)ethenediazonium is COc1ccccc1/C(O)=C(\[N+]#N)c1ccccc1OC.
What is the InChIKey of (E)-2-hydroxy-1,2-bis(2-methoxyphenyl)ethenediazonium?
The InChIKey is IEMARHSBYBPVOA-FOCLMDBBSA-O. The full InChI is InChI=1S/C16H14N2O3/c1-20-13-9-5-3-7-11(13)15(18-17)16(19)12-8-4-6-10-14(12)21-2/h3-10H,1-2H3/p+1/b16-15+.
What are the key properties of (E)-2-hydroxy-1,2-bis(2-methoxyphenyl)ethenediazonium?
(E)-2-hydroxy-1,2-bis(2-methoxyphenyl)ethenediazonium has a molecular weight of 283.31 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-hydroxy-1,2-bis(2-methoxyphenyl)ethenediazonium is sourced from PubChem (CID 11022356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).