(2-benzylselanyl-1-methoxyethyl)benzene

C16H18OSe — CID 15257784

IUPAC(2-benzylselanyl-1-methoxyethyl)benzene
SMILESCOC(C[Se]Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18OSe/c1-17-16(15-10-6-3-7-11-15)13-18-12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3
InChIKeyMARJIKMASRZTIG-UHFFFAOYSA-N
MW305.28 g/mol
LogP3.70
Rot. Bonds6

About (2-benzylselanyl-1-methoxyethyl)benzene

(2-benzylselanyl-1-methoxyethyl)benzene (PubChem CID 15257784) has the molecular formula C16H18OSe and a molecular weight of 305.28 g/mol. Its IUPAC name is (2-benzylselanyl-1-methoxyethyl)benzene.

Molecular Properties

Compound Name(2-benzylselanyl-1-methoxyethyl)benzene
PubChem CID15257784
Molecular FormulaC16H18OSe
Molecular Weight305.28 g/mol
Exact Mass306.05
IUPAC Name(2-benzylselanyl-1-methoxyethyl)benzene
SMILESCOC(C[Se]Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18OSe/c1-17-16(15-10-6-3-7-11-15)13-18-12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3
InChIKeyMARJIKMASRZTIG-UHFFFAOYSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-benzylselanyl-1-methoxyethyl)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

benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
(2R)-2-methoxy-2-phenylethanol
CID 6950345
N-benzyl-2-methoxy-2-phenylethanamine
CID 55038164
1,2-bis(2-methoxy-2-phenylethyl)benzene
CID 90884874
1-(1-methoxy-2-phenylselanylethyl)-4-methylbenzene
CID 122224983
2-(1-methoxyethoxy)ethylselanylmethylbenzene
CID 20729103
N-iodo-2-methoxy-2-phenylethanamine
CID 175279844
3-methoxy-3-phenylpropanoic acid
CID 13379217
[(1S)-2-deuteriooxy-1-methoxyethyl]benzene
CID 140824843
[(1S)-2-ethoxy-1-methoxyethyl]benzene
CID 155459528
1-benzyl-4-[(2R)-2-methoxy-2-phenylethyl]piperazine
CID 10448132
N-(1,3-diphenylpropan-2-yl)-3-methoxy-3-phenylpropan-1-amine
CID 110177135

Frequently Asked Questions

What is the IUPAC name of (2-benzylselanyl-1-methoxyethyl)benzene?
The IUPAC name of (2-benzylselanyl-1-methoxyethyl)benzene (CID 15257784) is (2-benzylselanyl-1-methoxyethyl)benzene.
What is the SMILES notation for (2-benzylselanyl-1-methoxyethyl)benzene?
The canonical SMILES for (2-benzylselanyl-1-methoxyethyl)benzene is COC(C[Se]Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2-benzylselanyl-1-methoxyethyl)benzene?
The InChIKey is MARJIKMASRZTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OSe/c1-17-16(15-10-6-3-7-11-15)13-18-12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3.
What are the key properties of (2-benzylselanyl-1-methoxyethyl)benzene?
(2-benzylselanyl-1-methoxyethyl)benzene has a molecular weight of 305.28 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylselanyl-1-methoxyethyl)benzene is sourced from PubChem (CID 15257784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).