1-methylselenoxanthen-9-one

C14H10OSe — CID 154714839

IUPAC1-methylselenoxanthen-9-one
SMILESCc1cccc2[se]c3ccccc3c(=O)c12
InChIInChI=1S/C14H10OSe/c1-9-5-4-8-12-13(9)14(15)10-6-2-3-7-11(10)16-12/h2-8H,1H3
InChIKeyZWQSYTHTYTTYAU-UHFFFAOYSA-N
MW273.19 g/mol
LogP2.72
Rot. Bonds

About 1-methylselenoxanthen-9-one

1-methylselenoxanthen-9-one (PubChem CID 154714839) has the molecular formula C14H10OSe and a molecular weight of 273.19 g/mol. Its IUPAC name is 1-methylselenoxanthen-9-one.

Molecular Properties

Compound Name1-methylselenoxanthen-9-one
PubChem CID154714839
Molecular FormulaC14H10OSe
Molecular Weight273.19 g/mol
Exact Mass273.99
IUPAC Name1-methylselenoxanthen-9-one
SMILESCc1cccc2[se]c3ccccc3c(=O)c12
InChIInChI=1S/C14H10OSe/c1-9-5-4-8-12-13(9)14(15)10-6-2-3-7-11(10)16-12/h2-8H,1H3
InChIKeyZWQSYTHTYTTYAU-UHFFFAOYSA-N
XLogP2.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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ethyl dibenzoselenophene-1-carboxylate
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1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159371160
1,5,12-trimethyltriphenylene
CID 102264978
1,8-dimethylnaphthalene;ethane
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5-methylanthracene-1,4,9,10-tetrone
CID 70601050
7-methyl-9-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1,3,5,7,10,13,15,17,20,23,25,27-dodecaene-12,19,22,29-tetrone
CID 19431832
3,22-dimethyl-8,17-diazatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene-9,16-dione
CID 22971523
5-hydroxy-16-methyl-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),4(9),5,7,15,17,19-octaene-3,10,14,21-tetrone
CID 122658770
1,5-dimethylnaphthalene
CID 162159355

Frequently Asked Questions

What is the IUPAC name of 1-methylselenoxanthen-9-one?
The IUPAC name of 1-methylselenoxanthen-9-one (CID 154714839) is 1-methylselenoxanthen-9-one.
What is the SMILES notation for 1-methylselenoxanthen-9-one?
The canonical SMILES for 1-methylselenoxanthen-9-one is Cc1cccc2[se]c3ccccc3c(=O)c12.
What is the InChIKey of 1-methylselenoxanthen-9-one?
The InChIKey is ZWQSYTHTYTTYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10OSe/c1-9-5-4-8-12-13(9)14(15)10-6-2-3-7-11(10)16-12/h2-8H,1H3.
What are the key properties of 1-methylselenoxanthen-9-one?
1-methylselenoxanthen-9-one has a molecular weight of 273.19 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylselenoxanthen-9-one is sourced from PubChem (CID 154714839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).