1-(4-methoxyphenyl)selanyl-8-methylnaphthalene

C18H16OSe — CID 101182425

IUPAC1-(4-methoxyphenyl)selanyl-8-methylnaphthalene
SMILESCOc1ccc([Se]c2cccc3cccc(C)c23)cc1
InChIInChI=1S/C18H16OSe/c1-13-5-3-6-14-7-4-8-17(18(13)14)20-16-11-9-15(19-2)10-12-16/h3-12H,1-2H3
InChIKeyQMJGYRHZAGZBMK-UHFFFAOYSA-N
MW327.29 g/mol
LogP2.81
Rot. Bonds3

About 1-(4-methoxyphenyl)selanyl-8-methylnaphthalene

1-(4-methoxyphenyl)selanyl-8-methylnaphthalene (PubChem CID 101182425) has the molecular formula C18H16OSe and a molecular weight of 327.29 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)selanyl-8-methylnaphthalene.

Molecular Properties

Compound Name1-(4-methoxyphenyl)selanyl-8-methylnaphthalene
PubChem CID101182425
Molecular FormulaC18H16OSe
Molecular Weight327.29 g/mol
Exact Mass328.04
IUPAC Name1-(4-methoxyphenyl)selanyl-8-methylnaphthalene
SMILESCOc1ccc([Se]c2cccc3cccc(C)c23)cc1
InChIInChI=1S/C18H16OSe/c1-13-5-3-6-14-7-4-8-17(18(13)14)20-16-11-9-15(19-2)10-12-16/h3-12H,1-2H3
InChIKeyQMJGYRHZAGZBMK-UHFFFAOYSA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-methoxyphenyl)selanyl-8-methylnaphthalene 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

1-chloro-2-(4-methoxyphenyl)selanylbenzene
CID 102522970
1-chloro-8-[4-(8-chloronaphthalen-1-yl)selanylphenyl]selanylnaphthalene
CID 102492909
2-(4-methoxyphenyl)selanylbenzonitrile
CID 132525672
1,8-dimethylnaphthalene;ethane
CID 91447117
1-bromo-8-(4-chlorophenyl)selanylnaphthalene
CID 11732030
1-methoxy-8-(8-methylnaphthalen-1-yl)naphthalene
CID 123360792
bis(1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene);hydrate
CID 175536149
1-methoxy-8-methylnaphthalen-2-amine
CID 115017290
1-phenylselanylnaphthalene
CID 11196823
1-(bromomethylselanyl)-4-methoxybenzene
CID 15584664
(8-methoxynaphthalen-1-yl)-(8-methylnaphthalen-1-yl)phosphane
CID 69477393
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)selanyl-8-methylnaphthalene?
The IUPAC name of 1-(4-methoxyphenyl)selanyl-8-methylnaphthalene (CID 101182425) is 1-(4-methoxyphenyl)selanyl-8-methylnaphthalene.
What is the SMILES notation for 1-(4-methoxyphenyl)selanyl-8-methylnaphthalene?
The canonical SMILES for 1-(4-methoxyphenyl)selanyl-8-methylnaphthalene is COc1ccc([Se]c2cccc3cccc(C)c23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)selanyl-8-methylnaphthalene?
The InChIKey is QMJGYRHZAGZBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16OSe/c1-13-5-3-6-14-7-4-8-17(18(13)14)20-16-11-9-15(19-2)10-12-16/h3-12H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)selanyl-8-methylnaphthalene?
1-(4-methoxyphenyl)selanyl-8-methylnaphthalene has a molecular weight of 327.29 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)selanyl-8-methylnaphthalene is sourced from PubChem (CID 101182425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).