2-phenazin-2-yloxyacetic acid

C14H10N2O3 — CID 97034009

IUPAC2-phenazin-2-yloxyacetic acid
SMILESO=C(O)COc1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C14H10N2O3/c17-14(18)8-19-9-5-6-12-13(7-9)16-11-4-2-1-3-10(11)15-12/h1-7H,8H2,(H,17,18)
InChIKeyOWEKWEIRRDMDTO-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.25
Rot. Bonds3

About 2-phenazin-2-yloxyacetic acid

2-phenazin-2-yloxyacetic acid (PubChem CID 97034009) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-phenazin-2-yloxyacetic acid.

Molecular Properties

Compound Name2-phenazin-2-yloxyacetic acid
PubChem CID97034009
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name2-phenazin-2-yloxyacetic acid
SMILESO=C(O)COc1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C14H10N2O3/c17-14(18)8-19-9-5-6-12-13(7-9)16-11-4-2-1-3-10(11)15-12/h1-7H,8H2,(H,17,18)
InChIKeyOWEKWEIRRDMDTO-UHFFFAOYSA-N
XLogP2.25
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

naphthalene;2-phenoxyacetic acid
CID 175275275
2-(2,4-dimethylquinolin-6-yl)oxyacetic acid
CID 82580332
2-phenoxyacetic acid;titanium
CID 174896747
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
2-[3-(1,3-benzoxazol-2-yl)phenoxy]acetic acid
CID 67428033
2-(3-methylbenzimidazol-5-yl)oxyacetic acid
CID 84673953
2-(4-benzamidophenoxy)acetic acid
CID 3830392
chloromethane;2-phenoxyacetic acid
CID 157255542
ethane-1,2-diol;2-phenoxyacetic acid
CID 86738206
2-[3-(benzimidazol-1-yl)phenoxy]acetic acid
CID 82514442
bis(2-(3,4-dichlorophenoxy)acetic acid);bis(diphenylphosphorylbenzene)
CID 139053943
quinoxalino[2,3-a]phenazin-3-yl acetate
CID 15249326

Frequently Asked Questions

What is the IUPAC name of 2-phenazin-2-yloxyacetic acid?
The IUPAC name of 2-phenazin-2-yloxyacetic acid (CID 97034009) is 2-phenazin-2-yloxyacetic acid.
What is the SMILES notation for 2-phenazin-2-yloxyacetic acid?
The canonical SMILES for 2-phenazin-2-yloxyacetic acid is O=C(O)COc1ccc2nc3ccccc3nc2c1.
What is the InChIKey of 2-phenazin-2-yloxyacetic acid?
The InChIKey is OWEKWEIRRDMDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-14(18)8-19-9-5-6-12-13(7-9)16-11-4-2-1-3-10(11)15-12/h1-7H,8H2,(H,17,18).
What are the key properties of 2-phenazin-2-yloxyacetic acid?
2-phenazin-2-yloxyacetic acid has a molecular weight of 254.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenazin-2-yloxyacetic acid is sourced from PubChem (CID 97034009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).