(4-acridin-2-ylphenyl) acetate

C21H15NO2 — CID 139787124

IUPAC(4-acridin-2-ylphenyl) acetate
SMILESCC(=O)Oc1ccc(-c2ccc3nc4ccccc4cc3c2)cc1
InChIInChI=1S/C21H15NO2/c1-14(23)24-19-9-6-15(7-10-19)16-8-11-21-18(12-16)13-17-4-2-3-5-20(17)22-21/h2-13H,1H3
InChIKeyGKUCBPFMIOBKRB-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.98
Rot. Bonds2

About (4-acridin-2-ylphenyl) acetate

(4-acridin-2-ylphenyl) acetate (PubChem CID 139787124) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (4-acridin-2-ylphenyl) acetate.

Molecular Properties

Compound Name(4-acridin-2-ylphenyl) acetate
PubChem CID139787124
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name(4-acridin-2-ylphenyl) acetate
SMILESCC(=O)Oc1ccc(-c2ccc3nc4ccccc4cc3c2)cc1
InChIInChI=1S/C21H15NO2/c1-14(23)24-19-9-6-15(7-10-19)16-8-11-21-18(12-16)13-17-4-2-3-5-20(17)22-21/h2-13H,1H3
InChIKeyGKUCBPFMIOBKRB-UHFFFAOYSA-N
XLogP4.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetyloxyphenyl)quinoline-3-carboxylic acid
CID 67205702
quinoxalino[2,3-a]phenazin-3-yl acetate
CID 15249326
(2-naphthalen-2-yl-4-oxo-3,1-benzoxazin-6-yl) acetate
CID 9321741
2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid
CID 67205145
[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl] acetate
CID 163460715
[4-(3-aminophenyl)phenyl] acetate
CID 68785053
bis(bis[4-(4-naphthalen-2-ylphenyl)phenyl] carbonate);carbonic acid
CID 174756889
(2-chloroquinolin-3-yl) acetate
CID 175423972
(2-phenyl-1,3-benzoxazol-6-yl) acetate
CID 15662262
benzo[b]acridine
CID 6451416
acridine;ethane
CID 123684759
acridine
CID 21226281

Frequently Asked Questions

What is the IUPAC name of (4-acridin-2-ylphenyl) acetate?
The IUPAC name of (4-acridin-2-ylphenyl) acetate (CID 139787124) is (4-acridin-2-ylphenyl) acetate.
What is the SMILES notation for (4-acridin-2-ylphenyl) acetate?
The canonical SMILES for (4-acridin-2-ylphenyl) acetate is CC(=O)Oc1ccc(-c2ccc3nc4ccccc4cc3c2)cc1.
What is the InChIKey of (4-acridin-2-ylphenyl) acetate?
The InChIKey is GKUCBPFMIOBKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2/c1-14(23)24-19-9-6-15(7-10-19)16-8-11-21-18(12-16)13-17-4-2-3-5-20(17)22-21/h2-13H,1H3.
What are the key properties of (4-acridin-2-ylphenyl) acetate?
(4-acridin-2-ylphenyl) acetate has a molecular weight of 313.36 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acridin-2-ylphenyl) acetate is sourced from PubChem (CID 139787124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).