2-(2-methylphenyl)-3-phenylselanylchromen-4-one

C22H16O2Se — CID 154713637

IUPAC2-(2-methylphenyl)-3-phenylselanylchromen-4-one
SMILESCc1ccccc1-c1oc2ccccc2c(=O)c1[Se]c1ccccc1
InChIInChI=1S/C22H16O2Se/c1-15-9-5-6-12-17(15)21-22(25-16-10-3-2-4-11-16)20(23)18-13-7-8-14-19(18)24-21/h2-14H,1H3
InChIKeyAZDPXAZHNTZROG-UHFFFAOYSA-N
MW391.33 g/mol
LogP3.42
Rot. Bonds3

About 2-(2-methylphenyl)-3-phenylselanylchromen-4-one

2-(2-methylphenyl)-3-phenylselanylchromen-4-one (PubChem CID 154713637) has the molecular formula C22H16O2Se and a molecular weight of 391.33 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3-phenylselanylchromen-4-one.

Molecular Properties

Compound Name2-(2-methylphenyl)-3-phenylselanylchromen-4-one
PubChem CID154713637
Molecular FormulaC22H16O2Se
Molecular Weight391.33 g/mol
Exact Mass392.03
IUPAC Name2-(2-methylphenyl)-3-phenylselanylchromen-4-one
SMILESCc1ccccc1-c1oc2ccccc2c(=O)c1[Se]c1ccccc1
InChIInChI=1S/C22H16O2Se/c1-15-9-5-6-12-17(15)21-22(25-16-10-3-2-4-11-16)20(23)18-13-7-8-14-19(18)24-21/h2-14H,1H3
InChIKeyAZDPXAZHNTZROG-UHFFFAOYSA-N
XLogP3.42
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3-phenylselanylchromen-4-one?
The IUPAC name of 2-(2-methylphenyl)-3-phenylselanylchromen-4-one (CID 154713637) is 2-(2-methylphenyl)-3-phenylselanylchromen-4-one.
What is the SMILES notation for 2-(2-methylphenyl)-3-phenylselanylchromen-4-one?
The canonical SMILES for 2-(2-methylphenyl)-3-phenylselanylchromen-4-one is Cc1ccccc1-c1oc2ccccc2c(=O)c1[Se]c1ccccc1.
What is the InChIKey of 2-(2-methylphenyl)-3-phenylselanylchromen-4-one?
The InChIKey is AZDPXAZHNTZROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O2Se/c1-15-9-5-6-12-17(15)21-22(25-16-10-3-2-4-11-16)20(23)18-13-7-8-14-19(18)24-21/h2-14H,1H3.
What are the key properties of 2-(2-methylphenyl)-3-phenylselanylchromen-4-one?
2-(2-methylphenyl)-3-phenylselanylchromen-4-one has a molecular weight of 391.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-3-phenylselanylchromen-4-one is sourced from PubChem (CID 154713637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).