4-[(1S)-1-deuterio-1-protioethyl]seleninyl-1,2-dimethoxybenzene

C10H14O3Se — CID 159327003

IUPAC4-[(1S)-1-deuterio-1-protioethyl]seleninyl-1,2-dimethoxybenzene
SMILES[1H][C@]([2H])(C)[Se](=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C10H14O3Se/c1-4-14(11)8-5-6-9(12-2)10(7-8)13-3/h5-7H,4H2,1-3H3/i4DH/t4-,14?/m0/s1
InChIKeyDJZHNPYXMDTXMG-KOKPRMLUSA-N
MW262.18 g/mol
LogP1.35
Rot. Bonds4

About 4-[(1S)-1-deuterio-1-protioethyl]seleninyl-1,2-dimethoxybenzene

4-[(1S)-1-deuterio-1-protioethyl]seleninyl-1,2-dimethoxybenzene (PubChem CID 159327003) has the molecular formula C10H14O3Se and a molecular weight of 262.18 g/mol. Its IUPAC name is 4-[(1S)-1-deuterio-1-protioethyl]seleninyl-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-[(1S)-1-deuterio-1-protioethyl]seleninyl-1,2-dimethoxybenzene
PubChem CID159327003
Molecular FormulaC10H14O3Se
Molecular Weight262.18 g/mol
Exact Mass263.02
IUPAC Name4-[(1S)-1-deuterio-1-protioethyl]seleninyl-1,2-dimethoxybenzene
SMILES[1H][C@]([2H])(C)[Se](=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C10H14O3Se/c1-4-14(11)8-5-6-9(12-2)10(7-8)13-3/h5-7H,4H2,1-3H3/i4DH/t4-,14?/m0/s1
InChIKeyDJZHNPYXMDTXMG-KOKPRMLUSA-N
XLogP1.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethoxy)-1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-4-methoxybenzene
CID 158017106
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
N,N-diethyl-3,4-dimethoxyaniline
CID 82538204
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
1-(3,4-dimethoxyphenyl)-N-ethoxymethanamine
CID 64974978
2-amino-2-(3,4-dimethoxyphenyl)butanoic acid
CID 3996118
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
(3,4-dimethoxyphenyl) acetate
CID 593001
4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene
CID 13133800
N-fluoro-3,4-dimethoxyaniline
CID 91259644

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-deuterio-1-protioethyl]seleninyl-1,2-dimethoxybenzene?
The IUPAC name of 4-[(1S)-1-deuterio-1-protioethyl]seleninyl-1,2-dimethoxybenzene (CID 159327003) is 4-[(1S)-1-deuterio-1-protioethyl]seleninyl-1,2-dimethoxybenzene.
What is the SMILES notation for 4-[(1S)-1-deuterio-1-protioethyl]seleninyl-1,2-dimethoxybenzene?
The canonical SMILES for 4-[(1S)-1-deuterio-1-protioethyl]seleninyl-1,2-dimethoxybenzene is [1H][C@]([2H])(C)[Se](=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-[(1S)-1-deuterio-1-protioethyl]seleninyl-1,2-dimethoxybenzene?
The InChIKey is DJZHNPYXMDTXMG-KOKPRMLUSA-N. The full InChI is InChI=1S/C10H14O3Se/c1-4-14(11)8-5-6-9(12-2)10(7-8)13-3/h5-7H,4H2,1-3H3/i4DH/t4-,14?/m0/s1.
What are the key properties of 4-[(1S)-1-deuterio-1-protioethyl]seleninyl-1,2-dimethoxybenzene?
4-[(1S)-1-deuterio-1-protioethyl]seleninyl-1,2-dimethoxybenzene has a molecular weight of 262.18 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-deuterio-1-protioethyl]seleninyl-1,2-dimethoxybenzene is sourced from PubChem (CID 159327003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).