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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one
CID 102313835
1-(1-methoxy-2-phenylselanylethyl)-4-methylbenzene
CID 122224983
2-methylpropylselanylbenzene
CID 12544088
1,3-dibenzhydryl-5-methoxy-2-methylbenzene
CID 170203409
(4-methoxy-2-methylphenyl)-phenylmethanol
CID 61101114
2-[bromo(phenyl)methyl]-1,3,5-trimethoxybenzene
CID 61095892
2-[2-(4-chlorophenyl)-2-(4-methoxy-2,6-dimethylphenyl)ethyl]-2-phenylselenane
CID 172680455
N-[1-(3-methylphenyl)-2-phenylselanylethyl]aniline
CID 172557248
2-[chloro(phenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 61082122
1-[bromo(phenyl)methyl]-3-methoxy-5-methylbenzene
CID 58027393
5-methoxy-1,2-dimethyl-3-phenylbenzene
CID 67554747
2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol
CID 25139966

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).