2-hexyl-3-phenylselanylchromen-4-one

C21H22O2Se — CID 154714247

IUPAC2-hexyl-3-phenylselanylchromen-4-one
SMILESCCCCCCc1oc2ccccc2c(=O)c1[Se]c1ccccc1
InChIInChI=1S/C21H22O2Se/c1-2-3-4-8-15-19-21(24-16-11-6-5-7-12-16)20(22)17-13-9-10-14-18(17)23-19/h5-7,9-14H,2-4,8,15H2,1H3
InChIKeyCRWUPRGICLHIJX-UHFFFAOYSA-N
MW385.36 g/mol
LogP3.57
Rot. Bonds7

About 2-hexyl-3-phenylselanylchromen-4-one

2-hexyl-3-phenylselanylchromen-4-one (PubChem CID 154714247) has the molecular formula C21H22O2Se and a molecular weight of 385.36 g/mol. Its IUPAC name is 2-hexyl-3-phenylselanylchromen-4-one.

Molecular Properties

Compound Name2-hexyl-3-phenylselanylchromen-4-one
PubChem CID154714247
Molecular FormulaC21H22O2Se
Molecular Weight385.36 g/mol
Exact Mass386.08
IUPAC Name2-hexyl-3-phenylselanylchromen-4-one
SMILESCCCCCCc1oc2ccccc2c(=O)c1[Se]c1ccccc1
InChIInChI=1S/C21H22O2Se/c1-2-3-4-8-15-19-21(24-16-11-6-5-7-12-16)20(22)17-13-9-10-14-18(17)23-19/h5-7,9-14H,2-4,8,15H2,1H3
InChIKeyCRWUPRGICLHIJX-UHFFFAOYSA-N
XLogP3.57
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-3-methylchromen-4-one
CID 174299593
3-bromo-2-heptyl-1-benzofuran
CID 11843101
3-bromo-2-octyl-1-benzofuran
CID 102256130
3-benzyl-2-pentyl-1-benzofuran
CID 101375097
bis(2-hexyl-1-benzofuran-3-yl)methanone
CID 102288992
2-pentyl-1-benzofuran-3-carbaldehyde
CID 87462287
2-(2-methylphenyl)-3-phenylselanylchromen-4-one
CID 154713637
methyl 2-hexyl-1-benzofuran-3-carboxylate
CID 102288995
2-ethyl-3-pentyl-1-benzofuran
CID 70503240
(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779
propane;xanthen-9-one
CID 90876458
3-(3-methylbuta-1,2-dienyl)-2-pentyl-1-benzofuran
CID 11054219

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-3-phenylselanylchromen-4-one?
The IUPAC name of 2-hexyl-3-phenylselanylchromen-4-one (CID 154714247) is 2-hexyl-3-phenylselanylchromen-4-one.
What is the SMILES notation for 2-hexyl-3-phenylselanylchromen-4-one?
The canonical SMILES for 2-hexyl-3-phenylselanylchromen-4-one is CCCCCCc1oc2ccccc2c(=O)c1[Se]c1ccccc1.
What is the InChIKey of 2-hexyl-3-phenylselanylchromen-4-one?
The InChIKey is CRWUPRGICLHIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O2Se/c1-2-3-4-8-15-19-21(24-16-11-6-5-7-12-16)20(22)17-13-9-10-14-18(17)23-19/h5-7,9-14H,2-4,8,15H2,1H3.
What are the key properties of 2-hexyl-3-phenylselanylchromen-4-one?
2-hexyl-3-phenylselanylchromen-4-one has a molecular weight of 385.36 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-3-phenylselanylchromen-4-one is sourced from PubChem (CID 154714247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).