1,3-bis(2-methoxyethoxymethyl)benzene

C14H22O4 — CID 14086847

IUPAC1,3-bis(2-methoxyethoxymethyl)benzene
SMILESCOCCOCc1cccc(COCCOC)c1
InChIInChI=1S/C14H22O4/c1-15-6-8-17-11-13-4-3-5-14(10-13)12-18-9-7-16-2/h3-5,10H,6-9,11-12H2,1-2H3
InChIKeyYZBWLXXKPGYYPM-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.01
Rot. Bonds10

About 1,3-bis(2-methoxyethoxymethyl)benzene

1,3-bis(2-methoxyethoxymethyl)benzene (PubChem CID 14086847) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1,3-bis(2-methoxyethoxymethyl)benzene.

Molecular Properties

Compound Name1,3-bis(2-methoxyethoxymethyl)benzene
PubChem CID14086847
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name1,3-bis(2-methoxyethoxymethyl)benzene
SMILESCOCCOCc1cccc(COCCOC)c1
InChIInChI=1S/C14H22O4/c1-15-6-8-17-11-13-4-3-5-14(10-13)12-18-9-7-16-2/h3-5,10H,6-9,11-12H2,1-2H3
InChIKeyYZBWLXXKPGYYPM-UHFFFAOYSA-N
XLogP2.01
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethoxymethyl)-3-prop-2-enylbenzene
CID 165448136
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799
N-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine
CID 103406401
N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline
CID 103439171
1-bromo-3-[2-(3-methoxypropoxy)ethoxymethyl]benzene
CID 103179398
1,3-bis(2-iodoethoxymethyl)benzene
CID 139952966
N'-tert-butyl-N-[3-(2-methoxyethoxymethyl)phenyl]ethane-1,2-diamine
CID 107445342
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115
N-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
CID 62442424
3-(2-methoxyethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62759745
2-[3-(2-methoxyethoxymethyl)anilino]butanoic acid
CID 115353092

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methoxyethoxymethyl)benzene?
The IUPAC name of 1,3-bis(2-methoxyethoxymethyl)benzene (CID 14086847) is 1,3-bis(2-methoxyethoxymethyl)benzene.
What is the SMILES notation for 1,3-bis(2-methoxyethoxymethyl)benzene?
The canonical SMILES for 1,3-bis(2-methoxyethoxymethyl)benzene is COCCOCc1cccc(COCCOC)c1.
What is the InChIKey of 1,3-bis(2-methoxyethoxymethyl)benzene?
The InChIKey is YZBWLXXKPGYYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-15-6-8-17-11-13-4-3-5-14(10-13)12-18-9-7-16-2/h3-5,10H,6-9,11-12H2,1-2H3.
What are the key properties of 1,3-bis(2-methoxyethoxymethyl)benzene?
1,3-bis(2-methoxyethoxymethyl)benzene has a molecular weight of 254.33 g/mol, XLogP of 2.01, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methoxyethoxymethyl)benzene is sourced from PubChem (CID 14086847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).