1-(3-methoxyphenyl)-2-phenylselanylethanone

C15H14O2Se — CID 168868534

IUPAC1-(3-methoxyphenyl)-2-phenylselanylethanone
SMILESCOc1cccc(C(=O)C[Se]c2ccccc2)c1
InChIInChI=1S/C15H14O2Se/c1-17-13-7-5-6-12(10-13)15(16)11-18-14-8-3-2-4-9-14/h2-10H,11H2,1H3
InChIKeyHSHFWSRHQSAAIS-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.33
Rot. Bonds5

About 1-(3-methoxyphenyl)-2-phenylselanylethanone

1-(3-methoxyphenyl)-2-phenylselanylethanone (PubChem CID 168868534) has the molecular formula C15H14O2Se and a molecular weight of 305.24 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-phenylselanylethanone.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-phenylselanylethanone
PubChem CID168868534
Molecular FormulaC15H14O2Se
Molecular Weight305.24 g/mol
Exact Mass306.02
IUPAC Name1-(3-methoxyphenyl)-2-phenylselanylethanone
SMILESCOc1cccc(C(=O)C[Se]c2ccccc2)c1
InChIInChI=1S/C15H14O2Se/c1-17-13-7-5-6-12(10-13)15(16)11-18-14-8-3-2-4-9-14/h2-10H,11H2,1H3
InChIKeyHSHFWSRHQSAAIS-UHFFFAOYSA-N
XLogP2.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.33
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-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
1-(3-methoxyphenyl)-2-pyridin-1-ium-1-ylethanone chloride
CID 19432277
1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 43321352
2-(4-acetylpyridin-1-ium-1-yl)-1-(3-methoxyphenyl)ethanone
CID 5043877
2-(4-benzylpyridin-1-ium-1-yl)-1-(3-methoxyphenyl)ethanone bromide
CID 44723893
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone
CID 64643903
2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone
CID 116595979
5-(3-methoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 2759683
1-(3-methoxyphenyl)-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552675
[2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 4271424

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-phenylselanylethanone?
The IUPAC name of 1-(3-methoxyphenyl)-2-phenylselanylethanone (CID 168868534) is 1-(3-methoxyphenyl)-2-phenylselanylethanone.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-phenylselanylethanone?
The canonical SMILES for 1-(3-methoxyphenyl)-2-phenylselanylethanone is COc1cccc(C(=O)C[Se]c2ccccc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-phenylselanylethanone?
The InChIKey is HSHFWSRHQSAAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2Se/c1-17-13-7-5-6-12(10-13)15(16)11-18-14-8-3-2-4-9-14/h2-10H,11H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-2-phenylselanylethanone?
1-(3-methoxyphenyl)-2-phenylselanylethanone has a molecular weight of 305.24 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-phenylselanylethanone is sourced from PubChem (CID 168868534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).