[4-(phenoxazine-10-carbonyl)phenyl] acetate

C21H15NO4 — CID 19931706

IUPAC[4-(phenoxazine-10-carbonyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)N2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C21H15NO4/c1-14(23)25-16-12-10-15(11-13-16)21(24)22-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)22/h2-13H,1H3
InChIKeyCXVNFYGTXQLOTP-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.70
Rot. Bonds2

About [4-(phenoxazine-10-carbonyl)phenyl] acetate

[4-(phenoxazine-10-carbonyl)phenyl] acetate (PubChem CID 19931706) has the molecular formula C21H15NO4 and a molecular weight of 345.35 g/mol. Its IUPAC name is [4-(phenoxazine-10-carbonyl)phenyl] acetate.

Molecular Properties

Compound Name[4-(phenoxazine-10-carbonyl)phenyl] acetate
PubChem CID19931706
Molecular FormulaC21H15NO4
Molecular Weight345.35 g/mol
Exact Mass345.10
IUPAC Name[4-(phenoxazine-10-carbonyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)N2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C21H15NO4/c1-14(23)25-16-12-10-15(11-13-16)21(24)22-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)22/h2-13H,1H3
InChIKeyCXVNFYGTXQLOTP-UHFFFAOYSA-N
XLogP4.70
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(phenoxazine-10-carbonyl)phenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carbonyl)phenyl]-(7-azabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)methanone
CID 70257091
[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate
CID 578309
(3,5-dichloro-4-hydroxyphenyl)-phenoxazin-10-ylmethanone
CID 11581527
[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl] acetate
CID 7336980
[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate
CID 798609
2-[3-[4-(phenoxazine-10-carbonyl)phenoxy]propyl]guanidine;2,2,2-trifluoroacetic acid
CID 162654614
[4-[4-(4-acetyloxyphenyl)hexa-2,4-dien-3-yl]phenyl] acetate
CID 6767
[4-[(2Z,4E)-4-(4-acetyloxyphenyl)hexa-2,4-dien-3-yl]phenyl] acetate
CID 24884313
[4-[(2R)-2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]phenyl] acetate
CID 7100438
(4-methoxyphenyl)-phenothiazin-10-ylmethanone
CID 1237217
phenyl acetate;hydroiodide
CID 172788123
[4-(dimethylcarbamoyl)phenyl] acetate
CID 3357388

Frequently Asked Questions

What is the IUPAC name of [4-(phenoxazine-10-carbonyl)phenyl] acetate?
The IUPAC name of [4-(phenoxazine-10-carbonyl)phenyl] acetate (CID 19931706) is [4-(phenoxazine-10-carbonyl)phenyl] acetate.
What is the SMILES notation for [4-(phenoxazine-10-carbonyl)phenyl] acetate?
The canonical SMILES for [4-(phenoxazine-10-carbonyl)phenyl] acetate is CC(=O)Oc1ccc(C(=O)N2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of [4-(phenoxazine-10-carbonyl)phenyl] acetate?
The InChIKey is CXVNFYGTXQLOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO4/c1-14(23)25-16-12-10-15(11-13-16)21(24)22-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)22/h2-13H,1H3.
What are the key properties of [4-(phenoxazine-10-carbonyl)phenyl] acetate?
[4-(phenoxazine-10-carbonyl)phenyl] acetate has a molecular weight of 345.35 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenoxazine-10-carbonyl)phenyl] acetate is sourced from PubChem (CID 19931706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).