1,3-benzoselenazol-2-yl-(4-methylphenyl)methanone

C15H11NOSe — CID 177452416

IUPAC1,3-benzoselenazol-2-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2nc3ccccc3[se]2)cc1
InChIInChI=1S/C15H11NOSe/c1-10-6-8-11(9-7-10)14(17)15-16-12-4-2-3-5-13(12)18-15/h2-9H,1H3
InChIKeySMGVZYSWBAHXLM-UHFFFAOYSA-N
MW300.22 g/mol
LogP2.83
Rot. Bonds2

About 1,3-benzoselenazol-2-yl-(4-methylphenyl)methanone

1,3-benzoselenazol-2-yl-(4-methylphenyl)methanone (PubChem CID 177452416) has the molecular formula C15H11NOSe and a molecular weight of 300.22 g/mol. Its IUPAC name is 1,3-benzoselenazol-2-yl-(4-methylphenyl)methanone.

Molecular Properties

Compound Name1,3-benzoselenazol-2-yl-(4-methylphenyl)methanone
PubChem CID177452416
Molecular FormulaC15H11NOSe
Molecular Weight300.22 g/mol
Exact Mass301.00
IUPAC Name1,3-benzoselenazol-2-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2nc3ccccc3[se]2)cc1
InChIInChI=1S/C15H11NOSe/c1-10-6-8-11(9-7-10)14(17)15-16-12-4-2-3-5-13(12)18-15/h2-9H,1H3
InChIKeySMGVZYSWBAHXLM-UHFFFAOYSA-N
XLogP2.83
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 52.83
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

diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
CID 175461017
(4-methyl-2-methylsulfanylquinolin-3-yl)-(4-methylphenyl)methanone
CID 139256386
7H-indolo[2,3-c]quinolin-6-yl-(4-methylphenyl)methanone
CID 170637595
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
(1-ethenylbenzimidazol-2-yl)-(4-methylphenyl)methanone
CID 23116964
[4-(4-methylbenzenecarbothioyl)phenyl]-phenylmethanone
CID 151070047
diphenylmethanone;ethane;toluene
CID 157406780
benzoic acid;4-methylbenzoic acid
CID 71272637
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoselenazol-2-yl-(4-methylphenyl)methanone?
The IUPAC name of 1,3-benzoselenazol-2-yl-(4-methylphenyl)methanone (CID 177452416) is 1,3-benzoselenazol-2-yl-(4-methylphenyl)methanone.
What is the SMILES notation for 1,3-benzoselenazol-2-yl-(4-methylphenyl)methanone?
The canonical SMILES for 1,3-benzoselenazol-2-yl-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2nc3ccccc3[se]2)cc1.
What is the InChIKey of 1,3-benzoselenazol-2-yl-(4-methylphenyl)methanone?
The InChIKey is SMGVZYSWBAHXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOSe/c1-10-6-8-11(9-7-10)14(17)15-16-12-4-2-3-5-13(12)18-15/h2-9H,1H3.
What are the key properties of 1,3-benzoselenazol-2-yl-(4-methylphenyl)methanone?
1,3-benzoselenazol-2-yl-(4-methylphenyl)methanone has a molecular weight of 300.22 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoselenazol-2-yl-(4-methylphenyl)methanone is sourced from PubChem (CID 177452416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).