[deuterio(2-methoxyethoxy)methyl]benzene

C10H14O2 — CID 10942826

IUPAC[deuterio(2-methoxyethoxy)methyl]benzene
SMILES[2H]C(OCCOC)c1ccccc1
InChIInChI=1S/C10H14O2/c1-11-7-8-12-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3/i9D
InChIKeyXBSQOKFFZZKPFM-QOWOAITPSA-N
MW167.23 g/mol
LogP1.85
Rot. Bonds5

About [deuterio(2-methoxyethoxy)methyl]benzene

[deuterio(2-methoxyethoxy)methyl]benzene (PubChem CID 10942826) has the molecular formula C10H14O2 and a molecular weight of 167.23 g/mol. Its IUPAC name is [deuterio(2-methoxyethoxy)methyl]benzene.

Molecular Properties

Compound Name[deuterio(2-methoxyethoxy)methyl]benzene
PubChem CID10942826
Molecular FormulaC10H14O2
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name[deuterio(2-methoxyethoxy)methyl]benzene
SMILES[2H]C(OCCOC)c1ccccc1
InChIInChI=1S/C10H14O2/c1-11-7-8-12-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3/i9D
InChIKeyXBSQOKFFZZKPFM-QOWOAITPSA-N
XLogP1.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
1-[dideuterio(phenyl)methyl]-2-(2-methoxyethoxymethyl)benzene
CID 10777613
benzene;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 19879698
2-methoxyethylbenzene
CID 19089
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115
benzyl-[2-(2-methoxyethoxy)ethoxy]-dimethylsilane
CID 91694228
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
2-(2-methoxyethoxy)ethyl 3-phenylpropanoate
CID 70881793
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989015
[(2R)-1-deuterio-2-(methoxymethyl)-3,3-dimethylbutyl]benzene
CID 100952934

Frequently Asked Questions

What is the IUPAC name of [deuterio(2-methoxyethoxy)methyl]benzene?
The IUPAC name of [deuterio(2-methoxyethoxy)methyl]benzene (CID 10942826) is [deuterio(2-methoxyethoxy)methyl]benzene.
What is the SMILES notation for [deuterio(2-methoxyethoxy)methyl]benzene?
The canonical SMILES for [deuterio(2-methoxyethoxy)methyl]benzene is [2H]C(OCCOC)c1ccccc1.
What is the InChIKey of [deuterio(2-methoxyethoxy)methyl]benzene?
The InChIKey is XBSQOKFFZZKPFM-QOWOAITPSA-N. The full InChI is InChI=1S/C10H14O2/c1-11-7-8-12-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3/i9D.
What are the key properties of [deuterio(2-methoxyethoxy)methyl]benzene?
[deuterio(2-methoxyethoxy)methyl]benzene has a molecular weight of 167.23 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [deuterio(2-methoxyethoxy)methyl]benzene is sourced from PubChem (CID 10942826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).