1-[dideuterio(phenyl)methyl]-2-(2-methoxyethoxymethyl)benzene

C17H20O2 — CID 10777613

IUPAC1-[dideuterio(phenyl)methyl]-2-(2-methoxyethoxymethyl)benzene
SMILES[2H]C([2H])(c1ccccc1)c1ccccc1COCCOC
InChIInChI=1S/C17H20O2/c1-18-11-12-19-14-17-10-6-5-9-16(17)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3/i13D2
InChIKeyVDVYUYYEXQKHGZ-KLTYLHELSA-N
MW258.36 g/mol
LogP3.44
Rot. Bonds7

About 1-[dideuterio(phenyl)methyl]-2-(2-methoxyethoxymethyl)benzene

1-[dideuterio(phenyl)methyl]-2-(2-methoxyethoxymethyl)benzene (PubChem CID 10777613) has the molecular formula C17H20O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[dideuterio(phenyl)methyl]-2-(2-methoxyethoxymethyl)benzene.

Molecular Properties

Compound Name1-[dideuterio(phenyl)methyl]-2-(2-methoxyethoxymethyl)benzene
PubChem CID10777613
Molecular FormulaC17H20O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name1-[dideuterio(phenyl)methyl]-2-(2-methoxyethoxymethyl)benzene
SMILES[2H]C([2H])(c1ccccc1)c1ccccc1COCCOC
InChIInChI=1S/C17H20O2/c1-18-11-12-19-14-17-10-6-5-9-16(17)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3/i13D2
InChIKeyVDVYUYYEXQKHGZ-KLTYLHELSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.44
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
[deuterio(2-methoxyethoxy)methyl]benzene
CID 10942826
2-(2-methoxyethoxymethyl)phenol
CID 21397612
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine
CID 104566562
1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 15050628
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
[2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine
CID 103177032
2-(2-methoxyethoxymethoxymethyl)phenol
CID 23251146
benzyl-[2-(2-methoxyethoxy)ethoxy]-dimethylsilane
CID 91694228
benzene;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 19879698

Frequently Asked Questions

What is the IUPAC name of 1-[dideuterio(phenyl)methyl]-2-(2-methoxyethoxymethyl)benzene?
The IUPAC name of 1-[dideuterio(phenyl)methyl]-2-(2-methoxyethoxymethyl)benzene (CID 10777613) is 1-[dideuterio(phenyl)methyl]-2-(2-methoxyethoxymethyl)benzene.
What is the SMILES notation for 1-[dideuterio(phenyl)methyl]-2-(2-methoxyethoxymethyl)benzene?
The canonical SMILES for 1-[dideuterio(phenyl)methyl]-2-(2-methoxyethoxymethyl)benzene is [2H]C([2H])(c1ccccc1)c1ccccc1COCCOC.
What is the InChIKey of 1-[dideuterio(phenyl)methyl]-2-(2-methoxyethoxymethyl)benzene?
The InChIKey is VDVYUYYEXQKHGZ-KLTYLHELSA-N. The full InChI is InChI=1S/C17H20O2/c1-18-11-12-19-14-17-10-6-5-9-16(17)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3/i13D2.
What are the key properties of 1-[dideuterio(phenyl)methyl]-2-(2-methoxyethoxymethyl)benzene?
1-[dideuterio(phenyl)methyl]-2-(2-methoxyethoxymethyl)benzene has a molecular weight of 258.36 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dideuterio(phenyl)methyl]-2-(2-methoxyethoxymethyl)benzene is sourced from PubChem (CID 10777613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).