1-(1-deuterio-1-protio(113C)ethyl)selenonyl-4-methoxy-2-methylbenzene

C10H14O3Se — CID 58500271

IUPAC1-(1-deuterio-1-protio(113C)ethyl)selenonyl-4-methoxy-2-methylbenzene
SMILES[1H][13C]([2H])(C)[Se](=O)(=O)c1ccc(OC)cc1C
InChIInChI=1S/C10H14O3Se/c1-4-14(11,12)10-6-5-9(13-3)7-8(10)2/h5-7H,4H2,1-3H3/i4+1DH
InChIKeyOWSZPCAFBJTAGG-YOQCINDNSA-N
MW263.18 g/mol
LogP1.53
Rot. Bonds3

About 1-(1-deuterio-1-protio(113C)ethyl)selenonyl-4-methoxy-2-methylbenzene

1-(1-deuterio-1-protio(113C)ethyl)selenonyl-4-methoxy-2-methylbenzene (PubChem CID 58500271) has the molecular formula C10H14O3Se and a molecular weight of 263.18 g/mol. Its IUPAC name is 1-(1-deuterio-1-protio(113C)ethyl)selenonyl-4-methoxy-2-methylbenzene.

Molecular Properties

Compound Name1-(1-deuterio-1-protio(113C)ethyl)selenonyl-4-methoxy-2-methylbenzene
PubChem CID58500271
Molecular FormulaC10H14O3Se
Molecular Weight263.18 g/mol
Exact Mass264.02
IUPAC Name1-(1-deuterio-1-protio(113C)ethyl)selenonyl-4-methoxy-2-methylbenzene
SMILES[1H][13C]([2H])(C)[Se](=O)(=O)c1ccc(OC)cc1C
InChIInChI=1S/C10H14O3Se/c1-4-14(11,12)10-6-5-9(13-3)7-8(10)2/h5-7H,4H2,1-3H3/i4+1DH
InChIKeyOWSZPCAFBJTAGG-YOQCINDNSA-N
XLogP1.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-deuterio-1-protio(113C)ethyl)selenonyl-4-methoxy-2-methylbenzene 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-(1-deuterio-1-protio(113C)ethyl)seleninyl-4-methoxy-2-methylbenzene
CID 58500261
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
carbanide;1-ethyl-4-methoxy-2-methylbenzene;yttrium
CID 161093717
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
1-(1-deuterio-1-protio(113C)ethyl)sulfinyl-4-methoxybenzene
CID 58500304
1-ethylsulfonyl-4-methoxy-2-methylbenzene
CID 69494919
1-[(E)-but-1-enyl]-4-methoxy-2-methylbenzene
CID 145499218
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
butane;ethane;2-ethyl-4-methoxy-1-methylbenzene
CID 178178141
1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 65313814
1-(1-bromopropyl)-4-methoxy-2-methylbenzene
CID 61097886
(2R)-1-(4-methoxy-2-methylphenyl)propan-2-ol
CID 97009148

Frequently Asked Questions

What is the IUPAC name of 1-(1-deuterio-1-protio(113C)ethyl)selenonyl-4-methoxy-2-methylbenzene?
The IUPAC name of 1-(1-deuterio-1-protio(113C)ethyl)selenonyl-4-methoxy-2-methylbenzene (CID 58500271) is 1-(1-deuterio-1-protio(113C)ethyl)selenonyl-4-methoxy-2-methylbenzene.
What is the SMILES notation for 1-(1-deuterio-1-protio(113C)ethyl)selenonyl-4-methoxy-2-methylbenzene?
The canonical SMILES for 1-(1-deuterio-1-protio(113C)ethyl)selenonyl-4-methoxy-2-methylbenzene is [1H][13C]([2H])(C)[Se](=O)(=O)c1ccc(OC)cc1C.
What is the InChIKey of 1-(1-deuterio-1-protio(113C)ethyl)selenonyl-4-methoxy-2-methylbenzene?
The InChIKey is OWSZPCAFBJTAGG-YOQCINDNSA-N. The full InChI is InChI=1S/C10H14O3Se/c1-4-14(11,12)10-6-5-9(13-3)7-8(10)2/h5-7H,4H2,1-3H3/i4+1DH.
What are the key properties of 1-(1-deuterio-1-protio(113C)ethyl)selenonyl-4-methoxy-2-methylbenzene?
1-(1-deuterio-1-protio(113C)ethyl)selenonyl-4-methoxy-2-methylbenzene has a molecular weight of 263.18 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-deuterio-1-protio(113C)ethyl)selenonyl-4-methoxy-2-methylbenzene is sourced from PubChem (CID 58500271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).