9-(4-amino-2-methylphenyl)xanthen-3-one

C20H15NO2 — CID 143374251

IUPAC9-(4-amino-2-methylphenyl)xanthen-3-one
SMILESCc1cc(N)ccc1-c1c2ccc(=O)cc-2oc2ccccc12
InChIInChI=1S/C20H15NO2/c1-12-10-13(21)6-8-15(12)20-16-4-2-3-5-18(16)23-19-11-14(22)7-9-17(19)20/h2-11H,21H2,1H3
InChIKeyARHIFGRSYKCEBX-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.46
Rot. Bonds1

About 9-(4-amino-2-methylphenyl)xanthen-3-one

9-(4-amino-2-methylphenyl)xanthen-3-one (PubChem CID 143374251) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 9-(4-amino-2-methylphenyl)xanthen-3-one.

Molecular Properties

Compound Name9-(4-amino-2-methylphenyl)xanthen-3-one
PubChem CID143374251
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name9-(4-amino-2-methylphenyl)xanthen-3-one
SMILESCc1cc(N)ccc1-c1c2ccc(=O)cc-2oc2ccccc12
InChIInChI=1S/C20H15NO2/c1-12-10-13(21)6-8-15(12)20-16-4-2-3-5-18(16)23-19-11-14(22)7-9-17(19)20/h2-11H,21H2,1H3
InChIKeyARHIFGRSYKCEBX-UHFFFAOYSA-N
XLogP4.46
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-9-(4-methoxy-2-methylphenyl)xanthen-3-one
CID 163631520
4-(2-ethyl-1-benzofuran-3-yl)-3-methylaniline
CID 62956805
9-[2-(hydroxymethyl)phenyl]xanthen-3-one
CID 143532367
9-(2,4-dimethylphenyl)-6-hydroxyxanthen-3-one;ethane
CID 144831515
9-(2,5-dimethylphenyl)-6-methylxanthen-3-one
CID 159816999
9-(4-methoxy-2-methylphenyl)-6-methylxanthen-3-one
CID 126579741
4-dibenzofuran-2-yl-3-methylaniline
CID 61025593
9-(5-amino-2-carboxyphenyl)-6-oxoxanthen-3-olate
CID 59227798
5-acetyl-2-(3-oxoxanthen-9-yl)benzoic acid;ethane;methanol
CID 145053432
ethyl 5-amino-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoate
CID 2907692
2-[3-(4-aminophenoxy)-6-oxoxanthen-9-yl]benzoic acid
CID 11640420
ethane;6-hydroxy-9-(4-methoxy-2-methylphenyl)xanthen-3-one
CID 145310419

Frequently Asked Questions

What is the IUPAC name of 9-(4-amino-2-methylphenyl)xanthen-3-one?
The IUPAC name of 9-(4-amino-2-methylphenyl)xanthen-3-one (CID 143374251) is 9-(4-amino-2-methylphenyl)xanthen-3-one.
What is the SMILES notation for 9-(4-amino-2-methylphenyl)xanthen-3-one?
The canonical SMILES for 9-(4-amino-2-methylphenyl)xanthen-3-one is Cc1cc(N)ccc1-c1c2ccc(=O)cc-2oc2ccccc12.
What is the InChIKey of 9-(4-amino-2-methylphenyl)xanthen-3-one?
The InChIKey is ARHIFGRSYKCEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c1-12-10-13(21)6-8-15(12)20-16-4-2-3-5-18(16)23-19-11-14(22)7-9-17(19)20/h2-11H,21H2,1H3.
What are the key properties of 9-(4-amino-2-methylphenyl)xanthen-3-one?
9-(4-amino-2-methylphenyl)xanthen-3-one has a molecular weight of 301.35 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-amino-2-methylphenyl)xanthen-3-one is sourced from PubChem (CID 143374251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).