3-(4-phenyldiazenylphenoxy)prop-2-enoic acid

C15H12N2O3 — CID 91565799

IUPAC3-(4-phenyldiazenylphenoxy)prop-2-enoic acid
SMILESO=C(O)C=COc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C15H12N2O3/c18-15(19)10-11-20-14-8-6-13(7-9-14)17-16-12-4-2-1-3-5-12/h1-11H,(H,18,19)/b11-10?,17-16+
InChIKeyGCNYQXRTTWNVER-VKSPINHISA-N
MW268.27 g/mol
LogP4.08
Rot. Bonds5

About 3-(4-phenyldiazenylphenoxy)prop-2-enoic acid

3-(4-phenyldiazenylphenoxy)prop-2-enoic acid (PubChem CID 91565799) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-(4-phenyldiazenylphenoxy)prop-2-enoic acid.

Molecular Properties

Compound Name3-(4-phenyldiazenylphenoxy)prop-2-enoic acid
PubChem CID91565799
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name3-(4-phenyldiazenylphenoxy)prop-2-enoic acid
SMILESO=C(O)C=COc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C15H12N2O3/c18-15(19)10-11-20-14-8-6-13(7-9-14)17-16-12-4-2-1-3-5-12/h1-11H,(H,18,19)/b11-10?,17-16+
InChIKeyGCNYQXRTTWNVER-VKSPINHISA-N
XLogP4.08
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-formylphenoxy)prop-2-enoic acid
CID 54235714
diphenyldiazene;urea
CID 175083568
(4-phenyldiazenylphenyl) dihydrogen phosphate
CID 21275212
4-phenyldiazenylbenzoic acid
CID 15276
bis(4-phenyldiazenylphenyl) sulfate
CID 174735060
(4-phenyldiazenylphenyl) 2-(ethenylamino)prop-2-enoate
CID 175474947
2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide
CID 175260592
phenyl N-(4-acetylphenyl)-3-phenoxyprop-2-enimidate
CID 91481132
carboxy-(4-phenyldiazenylphenyl)carbamic acid
CID 175154168
(E)-3-[4-[(Z)-3-[benzyl(methyl)carbamoyl]oxy-2-(dimethylamino)-1-(methylideneamino)prop-1-enyl]phenoxy]prop-2-enoic acid
CID 155007571
diphenyldiazene;hydrofluoride
CID 174857584
(E)-1-(4-methoxyphenyl)-3-(4-phenyldiazenylanilino)prop-2-en-1-one
CID 39346380

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenyldiazenylphenoxy)prop-2-enoic acid?
The IUPAC name of 3-(4-phenyldiazenylphenoxy)prop-2-enoic acid (CID 91565799) is 3-(4-phenyldiazenylphenoxy)prop-2-enoic acid.
What is the SMILES notation for 3-(4-phenyldiazenylphenoxy)prop-2-enoic acid?
The canonical SMILES for 3-(4-phenyldiazenylphenoxy)prop-2-enoic acid is O=C(O)C=COc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 3-(4-phenyldiazenylphenoxy)prop-2-enoic acid?
The InChIKey is GCNYQXRTTWNVER-VKSPINHISA-N. The full InChI is InChI=1S/C15H12N2O3/c18-15(19)10-11-20-14-8-6-13(7-9-14)17-16-12-4-2-1-3-5-12/h1-11H,(H,18,19)/b11-10?,17-16+.
What are the key properties of 3-(4-phenyldiazenylphenoxy)prop-2-enoic acid?
3-(4-phenyldiazenylphenoxy)prop-2-enoic acid has a molecular weight of 268.27 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenyldiazenylphenoxy)prop-2-enoic acid is sourced from PubChem (CID 91565799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).