CID 177485324

C20H13O3Se — CID 177485324

IUPAC—
SMILESO=c1ccc2c(-c3ccccc3C[Se])c3ccc(O)cc3oc-2c1
InChIInChI=1S/C20H13O3Se/c21-13-5-7-16-18(9-13)23-19-10-14(22)6-8-17(19)20(16)15-4-2-1-3-12(15)11-24/h1-10,21H,11H2
InChIKeyGAFSQTOSKDLSHG-UHFFFAOYSA-N
MW380.28 g/mol
LogP3.94
Rot. Bonds2

About CID 177485324

CID 177485324 (PubChem CID 177485324) has the molecular formula C20H13O3Se and a molecular weight of 380.28 g/mol.

Molecular Properties

Compound NameCID 177485324
PubChem CID177485324
Molecular FormulaC20H13O3Se
Molecular Weight380.28 g/mol
Exact Mass381.00
IUPAC Name—
SMILESO=c1ccc2c(-c3ccccc3C[Se])c3ccc(O)cc3oc-2c1
InChIInChI=1S/C20H13O3Se/c21-13-5-7-16-18(9-13)23-19-10-14(22)6-8-17(19)20(16)15-4-2-1-3-12(15)11-24/h1-10,21H,11H2
InChIKeyGAFSQTOSKDLSHG-UHFFFAOYSA-N
XLogP3.94
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-9-phenylxanthen-3-one
CID 2818392
cesium 2-(3-hydroxy-6-oxoxanthen-9-yl)benzoate
CID 162459831
9-[2-(hydroxymethyl)phenyl]xanthen-3-one
CID 143532367
6-hydroxy-9-[2-[(1S)-1-hydroxy-2-methylpropyl]phenyl]xanthen-3-one
CID 90380477
9-(2,4-dimethylphenyl)-6-hydroxyxanthen-3-one;ethane
CID 144831515
ethane;2-(3-hydroxy-6-oxoxanthen-9-yl)-6-methylbenzoic acid
CID 167443987
carbon dioxide;6-hydroxy-9-(4-methylphenyl)xanthen-3-one
CID 160590313
9-(5-tert-butyl-2-methylphenyl)-6-hydroxyxanthen-3-one
CID 58600096
2-(3-hydroxy-6-oxoxanthen-9-yl)terephthalaldehyde
CID 177034301
9-(2-acetyl-4-methylphenyl)-6-hydroxyxanthen-3-one
CID 142916259
4-(3-hydroxy-6-oxoxanthen-9-yl)-3-(trihydroxymethyl)benzoic acid
CID 20793710
ethane;6-hydroxy-9-(4-methoxy-2-methylphenyl)xanthen-3-one
CID 145310419

Frequently Asked Questions

What is the IUPAC name of CID 177485324?
The IUPAC name of CID 177485324 (CID 177485324) is not available.
What is the SMILES notation for CID 177485324?
The canonical SMILES for CID 177485324 is O=c1ccc2c(-c3ccccc3C[Se])c3ccc(O)cc3oc-2c1.
What is the InChIKey of CID 177485324?
The InChIKey is GAFSQTOSKDLSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13O3Se/c21-13-5-7-16-18(9-13)23-19-10-14(22)6-8-17(19)20(16)15-4-2-1-3-12(15)11-24/h1-10,21H,11H2.
What are the key properties of CID 177485324?
CID 177485324 has a molecular weight of 380.28 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177485324 is sourced from PubChem (CID 177485324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).