1,2-diethyl-3-(2-methoxyethoxymethoxy)benzene

C14H22O3 — CID 54400320

IUPAC1,2-diethyl-3-(2-methoxyethoxymethoxy)benzene
SMILESCCc1cccc(OCOCCOC)c1CC
InChIInChI=1S/C14H22O3/c1-4-12-7-6-8-14(13(12)5-2)17-11-16-10-9-15-3/h6-8H,4-5,9-11H2,1-3H3
InChIKeyJIPOKSMWVFODAL-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.81
Rot. Bonds8

About 1,2-diethyl-3-(2-methoxyethoxymethoxy)benzene

1,2-diethyl-3-(2-methoxyethoxymethoxy)benzene (PubChem CID 54400320) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1,2-diethyl-3-(2-methoxyethoxymethoxy)benzene.

Molecular Properties

Compound Name1,2-diethyl-3-(2-methoxyethoxymethoxy)benzene
PubChem CID54400320
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1,2-diethyl-3-(2-methoxyethoxymethoxy)benzene
SMILESCCc1cccc(OCOCCOC)c1CC
InChIInChI=1S/C14H22O3/c1-4-12-7-6-8-14(13(12)5-2)17-11-16-10-9-15-3/h6-8H,4-5,9-11H2,1-3H3
InChIKeyJIPOKSMWVFODAL-UHFFFAOYSA-N
XLogP2.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1,3-bis(methoxymethoxy)benzene
CID 141101427
1,2-dimethoxy-3-(2-methoxyethoxymethoxy)benzene
CID 54272743
1-bromo-2-(2-methoxyethoxymethoxy)benzene
CID 16655302
1-(2-methoxyethoxymethoxy)-2-propan-2-ylbenzene
CID 57457861
(2,3-diethylphenyl) cyanate
CID 141200893
2-ethyl-6-(methoxymethoxy)benzaldehyde
CID 59509177
2,6-diethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104562158
1-(chloromethyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzene
CID 10859628
(2,3-diethylphenoxy)-hydroxy-oxophosphanium
CID 66957661
1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene
CID 114320831
3-(2-ethyl-3-methoxyphenyl)propanoic acid
CID 117297447
1-(chloromethyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzene;ethane
CID 142063314

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-3-(2-methoxyethoxymethoxy)benzene?
The IUPAC name of 1,2-diethyl-3-(2-methoxyethoxymethoxy)benzene (CID 54400320) is 1,2-diethyl-3-(2-methoxyethoxymethoxy)benzene.
What is the SMILES notation for 1,2-diethyl-3-(2-methoxyethoxymethoxy)benzene?
The canonical SMILES for 1,2-diethyl-3-(2-methoxyethoxymethoxy)benzene is CCc1cccc(OCOCCOC)c1CC.
What is the InChIKey of 1,2-diethyl-3-(2-methoxyethoxymethoxy)benzene?
The InChIKey is JIPOKSMWVFODAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-12-7-6-8-14(13(12)5-2)17-11-16-10-9-15-3/h6-8H,4-5,9-11H2,1-3H3.
What are the key properties of 1,2-diethyl-3-(2-methoxyethoxymethoxy)benzene?
1,2-diethyl-3-(2-methoxyethoxymethoxy)benzene has a molecular weight of 238.33 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-3-(2-methoxyethoxymethoxy)benzene is sourced from PubChem (CID 54400320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).