[2-[(1-acetylindazol-3-yl)methoxy]phenyl] acetate

C18H16N2O4 — CID 673274

IUPAC[2-[(1-acetylindazol-3-yl)methoxy]phenyl] acetate
SMILESCC(=O)Oc1ccccc1OCc1nn(C(C)=O)c2ccccc12
InChIInChI=1S/C18H16N2O4/c1-12(21)20-16-8-4-3-7-14(16)15(19-20)11-23-17-9-5-6-10-18(17)24-13(2)22/h3-10H,11H2,1-2H3
InChIKeyRTELJOHTIHOURN-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.20
Rot. Bonds4

About [2-[(1-acetylindazol-3-yl)methoxy]phenyl] acetate

[2-[(1-acetylindazol-3-yl)methoxy]phenyl] acetate (PubChem CID 673274) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is [2-[(1-acetylindazol-3-yl)methoxy]phenyl] acetate.

Molecular Properties

Compound Name[2-[(1-acetylindazol-3-yl)methoxy]phenyl] acetate
PubChem CID673274
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name[2-[(1-acetylindazol-3-yl)methoxy]phenyl] acetate
SMILESCC(=O)Oc1ccccc1OCc1nn(C(C)=O)c2ccccc12
InChIInChI=1S/C18H16N2O4/c1-12(21)20-16-8-4-3-7-14(16)15(19-20)11-23-17-9-5-6-10-18(17)24-13(2)22/h3-10H,11H2,1-2H3
InChIKeyRTELJOHTIHOURN-UHFFFAOYSA-N
XLogP3.20
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1-acetyl-2-methylindol-3-yl) acetate
CID 15565752
(1,2-diacetylindol-3-yl) acetate
CID 31196222
1-(1-acetyl-5-phenylmethoxyindazol-3-yl)propan-2-one
CID 22241639
2-amino-3-[(1-ethylindazol-3-yl)methoxy]phenol
CID 114764441
[9-(benzenesulfonyl)carbazol-4-yl] acetate
CID 11257063
(3-acetyloxy-1-methyl-2-oxoquinolin-4-yl) acetate
CID 19776662
(2-phenacyloxyphenyl) acetate
CID 2303836
triphenylen-1-yl acetate
CID 87276472
[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxyphenyl] acetate
CID 56696636
tert-butyl 3-(2-bromoethyl)indazole-1-carboxylate
CID 174529401
(1-acetyl-4-fluoroindazol-5-yl) acetate
CID 69431575
1-acetylcinnolin-4-one
CID 124800044

Frequently Asked Questions

What is the IUPAC name of [2-[(1-acetylindazol-3-yl)methoxy]phenyl] acetate?
The IUPAC name of [2-[(1-acetylindazol-3-yl)methoxy]phenyl] acetate (CID 673274) is [2-[(1-acetylindazol-3-yl)methoxy]phenyl] acetate.
What is the SMILES notation for [2-[(1-acetylindazol-3-yl)methoxy]phenyl] acetate?
The canonical SMILES for [2-[(1-acetylindazol-3-yl)methoxy]phenyl] acetate is CC(=O)Oc1ccccc1OCc1nn(C(C)=O)c2ccccc12.
What is the InChIKey of [2-[(1-acetylindazol-3-yl)methoxy]phenyl] acetate?
The InChIKey is RTELJOHTIHOURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-12(21)20-16-8-4-3-7-14(16)15(19-20)11-23-17-9-5-6-10-18(17)24-13(2)22/h3-10H,11H2,1-2H3.
What are the key properties of [2-[(1-acetylindazol-3-yl)methoxy]phenyl] acetate?
[2-[(1-acetylindazol-3-yl)methoxy]phenyl] acetate has a molecular weight of 324.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-acetylindazol-3-yl)methoxy]phenyl] acetate is sourced from PubChem (CID 673274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).