5-methoxy-1,3-dimethyl-2-(1-phenyl-2-phenylselanylethyl)benzene

C23H24OSe — CID 156781397

IUPAC5-methoxy-1,3-dimethyl-2-(1-phenyl-2-phenylselanylethyl)benzene
SMILESCOc1cc(C)c(C(C[Se]c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C23H24OSe/c1-17-14-20(24-3)15-18(2)23(17)22(19-10-6-4-7-11-19)16-25-21-12-8-5-9-13-21/h4-15,22H,16H2,1-3H3
InChIKeyTYVFMSJQVOBUHY-UHFFFAOYSA-N
MW395.40 g/mol
LogP4.89
Rot. Bonds6

About 5-methoxy-1,3-dimethyl-2-(1-phenyl-2-phenylselanylethyl)benzene

5-methoxy-1,3-dimethyl-2-(1-phenyl-2-phenylselanylethyl)benzene (PubChem CID 156781397) has the molecular formula C23H24OSe and a molecular weight of 395.40 g/mol. Its IUPAC name is 5-methoxy-1,3-dimethyl-2-(1-phenyl-2-phenylselanylethyl)benzene.

Molecular Properties

Compound Name5-methoxy-1,3-dimethyl-2-(1-phenyl-2-phenylselanylethyl)benzene
PubChem CID156781397
Molecular FormulaC23H24OSe
Molecular Weight395.40 g/mol
Exact Mass396.10
IUPAC Name5-methoxy-1,3-dimethyl-2-(1-phenyl-2-phenylselanylethyl)benzene
SMILESCOc1cc(C)c(C(C[Se]c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C23H24OSe/c1-17-14-20(24-3)15-18(2)23(17)22(19-10-6-4-7-11-19)16-25-21-12-8-5-9-13-21/h4-15,22H,16H2,1-3H3
InChIKeyTYVFMSJQVOBUHY-UHFFFAOYSA-N
XLogP4.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-methoxy-1,3-dimethyl-2-(1-phenyl-2-phenylselanylethyl)benzene?
The IUPAC name of 5-methoxy-1,3-dimethyl-2-(1-phenyl-2-phenylselanylethyl)benzene (CID 156781397) is 5-methoxy-1,3-dimethyl-2-(1-phenyl-2-phenylselanylethyl)benzene.
What is the SMILES notation for 5-methoxy-1,3-dimethyl-2-(1-phenyl-2-phenylselanylethyl)benzene?
The canonical SMILES for 5-methoxy-1,3-dimethyl-2-(1-phenyl-2-phenylselanylethyl)benzene is COc1cc(C)c(C(C[Se]c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of 5-methoxy-1,3-dimethyl-2-(1-phenyl-2-phenylselanylethyl)benzene?
The InChIKey is TYVFMSJQVOBUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24OSe/c1-17-14-20(24-3)15-18(2)23(17)22(19-10-6-4-7-11-19)16-25-21-12-8-5-9-13-21/h4-15,22H,16H2,1-3H3.
What are the key properties of 5-methoxy-1,3-dimethyl-2-(1-phenyl-2-phenylselanylethyl)benzene?
5-methoxy-1,3-dimethyl-2-(1-phenyl-2-phenylselanylethyl)benzene has a molecular weight of 395.40 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,3-dimethyl-2-(1-phenyl-2-phenylselanylethyl)benzene is sourced from PubChem (CID 156781397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).