2-(4-methylphenyl)selenochromen-4-one

C16H12OSe — CID 132819686

IUPAC2-(4-methylphenyl)selenochromen-4-one
SMILESCc1ccc(-c2cc(=O)c3ccccc3[se]2)cc1
InChIInChI=1S/C16H12OSe/c1-11-6-8-12(9-7-11)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-10H,1H3
InChIKeyBMCITSGBNSGSTC-UHFFFAOYSA-N
MW299.23 g/mol
LogP3.23
Rot. Bonds1

About 2-(4-methylphenyl)selenochromen-4-one

2-(4-methylphenyl)selenochromen-4-one (PubChem CID 132819686) has the molecular formula C16H12OSe and a molecular weight of 299.23 g/mol. Its IUPAC name is 2-(4-methylphenyl)selenochromen-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)selenochromen-4-one
PubChem CID132819686
Molecular FormulaC16H12OSe
Molecular Weight299.23 g/mol
Exact Mass300.01
IUPAC Name2-(4-methylphenyl)selenochromen-4-one
SMILESCc1ccc(-c2cc(=O)c3ccccc3[se]2)cc1
InChIInChI=1S/C16H12OSe/c1-11-6-8-12(9-7-11)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-10H,1H3
InChIKeyBMCITSGBNSGSTC-UHFFFAOYSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)selenochromen-4-one
CID 12615363
2,6-diphenylselenopheno[3,2-f][1]benzoselenole
CID 86054141
2-methyl-[1]benzoselenolo[2,3-b][1]benzoselenole
CID 134908987
2-hydroxy-3-methylselenochromen-4-one
CID 134911237
molecular iodine;selenoxanthen-9-one
CID 134913960
2-methyl-9,10-bis(4-methylphenyl)phenanthrene
CID 102170161
5-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-2-naphthalen-2-ylselenophene
CID 53343278
9,10-bis(4-methylphenyl)anthracene;methane
CID 162058146
3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene
CID 168838204
ethane;3-(4-methylphenyl)phenanthrene
CID 142353065
anthracene;4-methylbenzoic acid
CID 175030135
9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene
CID 58722434

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)selenochromen-4-one?
The IUPAC name of 2-(4-methylphenyl)selenochromen-4-one (CID 132819686) is 2-(4-methylphenyl)selenochromen-4-one.
What is the SMILES notation for 2-(4-methylphenyl)selenochromen-4-one?
The canonical SMILES for 2-(4-methylphenyl)selenochromen-4-one is Cc1ccc(-c2cc(=O)c3ccccc3[se]2)cc1.
What is the InChIKey of 2-(4-methylphenyl)selenochromen-4-one?
The InChIKey is BMCITSGBNSGSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12OSe/c1-11-6-8-12(9-7-11)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-10H,1H3.
What are the key properties of 2-(4-methylphenyl)selenochromen-4-one?
2-(4-methylphenyl)selenochromen-4-one has a molecular weight of 299.23 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)selenochromen-4-one is sourced from PubChem (CID 132819686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).