acetic acid;1-methoxyphenazine

C15H14N2O3 — CID 174937212

IUPACacetic acid;1-methoxyphenazine
SMILESCC(=O)O.COc1cccc2nc3ccccc3nc12
InChIInChI=1S/C13H10N2O.C2H4O2/c1-16-12-8-4-7-11-13(12)15-10-6-3-2-5-9(10)14-11;1-2(3)4/h2-8H,1H3;1H3,(H,3,4)
InChIKeyAOIJHRAWQWQUFU-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.88
Rot. Bonds1

About acetic acid;1-methoxyphenazine

acetic acid;1-methoxyphenazine (PubChem CID 174937212) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is acetic acid;1-methoxyphenazine.

Molecular Properties

Compound Nameacetic acid;1-methoxyphenazine
PubChem CID174937212
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Nameacetic acid;1-methoxyphenazine
SMILESCC(=O)O.COc1cccc2nc3ccccc3nc12
InChIInChI=1S/C13H10N2O.C2H4O2/c1-16-12-8-4-7-11-13(12)15-10-6-3-2-5-9(10)14-11;1-2(3)4/h2-8H,1H3;1H3,(H,3,4)
InChIKeyAOIJHRAWQWQUFU-UHFFFAOYSA-N
XLogP2.88
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.88
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

(9-acetyloxyphenazin-1-yl) acetate
CID 611384
acetic acid;1-methylsulfanylphenazine
CID 175441164
(9-acetyloxyphenazin-2-yl) acetate
CID 611477
(6-methylphenazin-1-yl) acetate
CID 610919
1-(4-methoxy-1H-benzimidazol-2-yl)ethanone
CID 18316612
6,8,11-trihydroxy-4-methoxy-9,10-dihydro-7H-benzo[b]phenazine-8-carboxylic acid
CID 135604574
N-(2,4-dimethoxyphenyl)phenazine-1-carboxamide
CID 16824395
1-(4-methoxyquinolin-2-yl)ethanone
CID 22954601
1-(3,7-dimethylocta-2,6-dienoxy)-6-methoxyphenazine
CID 162858744
quinoxalino[2,3-a]phenazin-3-yl acetate
CID 15249326
phenazine-1-carboxamide
CID 141278918
phenazine-1-carbonyl chloride
CID 71668468

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-methoxyphenazine?
The IUPAC name of acetic acid;1-methoxyphenazine (CID 174937212) is acetic acid;1-methoxyphenazine.
What is the SMILES notation for acetic acid;1-methoxyphenazine?
The canonical SMILES for acetic acid;1-methoxyphenazine is CC(=O)O.COc1cccc2nc3ccccc3nc12.
What is the InChIKey of acetic acid;1-methoxyphenazine?
The InChIKey is AOIJHRAWQWQUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O.C2H4O2/c1-16-12-8-4-7-11-13(12)15-10-6-3-2-5-9(10)14-11;1-2(3)4/h2-8H,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-methoxyphenazine?
acetic acid;1-methoxyphenazine has a molecular weight of 270.29 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-methoxyphenazine is sourced from PubChem (CID 174937212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).