2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene

C13H20O4Se — CID 20729123

IUPAC2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene
SMILESCOc1ccc([Se]CCOC(C)OC)c(OC)c1
InChIInChI=1S/C13H20O4Se/c1-10(14-2)17-7-8-18-13-6-5-11(15-3)9-12(13)16-4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyCDEMJFVUMJEOBX-UHFFFAOYSA-N
MW319.26 g/mol
LogP1.46
Rot. Bonds8

About 2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene

2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene (PubChem CID 20729123) has the molecular formula C13H20O4Se and a molecular weight of 319.26 g/mol. Its IUPAC name is 2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene.

Molecular Properties

Compound Name2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene
PubChem CID20729123
Molecular FormulaC13H20O4Se
Molecular Weight319.26 g/mol
Exact Mass320.05
IUPAC Name2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene
SMILESCOc1ccc([Se]CCOC(C)OC)c(OC)c1
InChIInChI=1S/C13H20O4Se/c1-10(14-2)17-7-8-18-13-6-5-11(15-3)9-12(13)16-4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyCDEMJFVUMJEOBX-UHFFFAOYSA-N
XLogP1.46
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
1-(2,4-dimethoxyphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104560891
3-(2,4-dimethoxyphenyl)butanal
CID 83834095
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
1-(2,4-dimethoxyphenyl)ethanethiol
CID 43124104
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
(1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171220642
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine
CID 79616909
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene?
The IUPAC name of 2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene (CID 20729123) is 2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene.
What is the SMILES notation for 2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene?
The canonical SMILES for 2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene is COc1ccc([Se]CCOC(C)OC)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene?
The InChIKey is CDEMJFVUMJEOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4Se/c1-10(14-2)17-7-8-18-13-6-5-11(15-3)9-12(13)16-4/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene?
2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene has a molecular weight of 319.26 g/mol, XLogP of 1.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene is sourced from PubChem (CID 20729123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).