1-(4-methylphenyl)-3-phenylselanylpropan-1-one

C16H16OSe — CID 23246415

IUPAC1-(4-methylphenyl)-3-phenylselanylpropan-1-one
SMILESCc1ccc(C(=O)CC[Se]c2ccccc2)cc1
InChIInChI=1S/C16H16OSe/c1-13-7-9-14(10-8-13)16(17)11-12-18-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
InChIKeyMOCVAPKYALAWAO-UHFFFAOYSA-N
MW303.26 g/mol
LogP3.02
Rot. Bonds5

About 1-(4-methylphenyl)-3-phenylselanylpropan-1-one

1-(4-methylphenyl)-3-phenylselanylpropan-1-one (PubChem CID 23246415) has the molecular formula C16H16OSe and a molecular weight of 303.26 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-phenylselanylpropan-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-phenylselanylpropan-1-one
PubChem CID23246415
Molecular FormulaC16H16OSe
Molecular Weight303.26 g/mol
Exact Mass304.04
IUPAC Name1-(4-methylphenyl)-3-phenylselanylpropan-1-one
SMILESCc1ccc(C(=O)CC[Se]c2ccccc2)cc1
InChIInChI=1S/C16H16OSe/c1-13-7-9-14(10-8-13)16(17)11-12-18-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
InChIKeyMOCVAPKYALAWAO-UHFFFAOYSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 53.02
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

3-phenylselanylpropanoyl chloride
CID 14105312
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one
CID 62612961
3-fluoro-1-(4-methylphenyl)propan-1-one
CID 89142724
2-bromo-1-phenylethanone;toluene
CID 142995126
3-benzylimino-1-(4-methylphenyl)butan-1-one
CID 7307989
3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
CID 3064601
4,4-difluoro-1-(4-methylphenyl)-3-phenylbut-3-en-1-one
CID 132577802
1-[4-(4-methylphenyl)-4-oxobutanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168142
1-(4-phenylphenyl)-3-sulfanylpropan-1-one
CID 116830745
2-bromo-1-(4-methylphenyl)ethanone;ethane;1-(4-methylphenyl)ethanone
CID 143457171
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 3096610

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-phenylselanylpropan-1-one?
The IUPAC name of 1-(4-methylphenyl)-3-phenylselanylpropan-1-one (CID 23246415) is 1-(4-methylphenyl)-3-phenylselanylpropan-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-3-phenylselanylpropan-1-one?
The canonical SMILES for 1-(4-methylphenyl)-3-phenylselanylpropan-1-one is Cc1ccc(C(=O)CC[Se]c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-phenylselanylpropan-1-one?
The InChIKey is MOCVAPKYALAWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OSe/c1-13-7-9-14(10-8-13)16(17)11-12-18-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3.
What are the key properties of 1-(4-methylphenyl)-3-phenylselanylpropan-1-one?
1-(4-methylphenyl)-3-phenylselanylpropan-1-one has a molecular weight of 303.26 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-phenylselanylpropan-1-one is sourced from PubChem (CID 23246415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).