2-(4-methoxyphenyl)selenochromen-4-one

C16H12O2Se — CID 12615363

IUPAC2-(4-methoxyphenyl)selenochromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3ccccc3[se]2)cc1
InChIInChI=1S/C16H12O2Se/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-10H,1H3
InChIKeyBLYPADYZUARZBO-UHFFFAOYSA-N
MW315.23 g/mol
LogP2.93
Rot. Bonds2

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

2-(4-methoxyphenyl)selenochromen-4-one (PubChem CID 12615363) has the molecular formula C16H12O2Se and a molecular weight of 315.23 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)selenochromen-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)selenochromen-4-one
PubChem CID12615363
Molecular FormulaC16H12O2Se
Molecular Weight315.23 g/mol
Exact Mass316.00
IUPAC Name2-(4-methoxyphenyl)selenochromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3ccccc3[se]2)cc1
InChIInChI=1S/C16H12O2Se/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-10H,1H3
InChIKeyBLYPADYZUARZBO-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methoxynaphthalen-2-yl)chromen-4-one
CID 132606136
2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxyselenochromen-4-one
CID 142747654
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
3-(4-methoxyphenyl)-2-methylisoquinolin-1-one
CID 1233900
1,3-bis(4-methoxyphenyl)-2-benzothiophene
CID 14668872
9,10-bis(3,5-dimethoxyphenyl)anthracene
CID 11961931
2-(4-methoxybenzoyl)-1-methylquinolin-4-one
CID 15733027
9,10-dibromo-2-(4-methoxyphenyl)anthracene
CID 59002235
3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
CID 70843008
4-methoxy-9-(4-methoxyphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one
CID 118529990
1-(4-methoxyphenyl)-3,6,8-tris(4-naphthalen-1-ylphenyl)pyrene
CID 59391072
1-(4-methoxyphenyl)-3,6,8-tri(phenanthren-9-yl)pyrene
CID 59391261

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)selenochromen-4-one?
The IUPAC name of 2-(4-methoxyphenyl)selenochromen-4-one (CID 12615363) is 2-(4-methoxyphenyl)selenochromen-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)selenochromen-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)selenochromen-4-one is COc1ccc(-c2cc(=O)c3ccccc3[se]2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)selenochromen-4-one?
The InChIKey is BLYPADYZUARZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2Se/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-10H,1H3.
What are the key properties of 2-(4-methoxyphenyl)selenochromen-4-one?
2-(4-methoxyphenyl)selenochromen-4-one has a molecular weight of 315.23 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)selenochromen-4-one is sourced from PubChem (CID 12615363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).