1-(2,2-diethoxyethoxy)-4-ethoxybenzene

C14H22O4 — CID 63629434

IUPAC1-(2,2-diethoxyethoxy)-4-ethoxybenzene
SMILESCCOc1ccc(OCC(OCC)OCC)cc1
InChIInChI=1S/C14H22O4/c1-4-15-12-7-9-13(10-8-12)18-11-14(16-5-2)17-6-3/h7-10,14H,4-6,11H2,1-3H3
InChIKeyYOPYEHCNQZWREJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.86
Rot. Bonds9

About 1-(2,2-diethoxyethoxy)-4-ethoxybenzene

1-(2,2-diethoxyethoxy)-4-ethoxybenzene (PubChem CID 63629434) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2,2-diethoxyethoxy)-4-ethoxybenzene.

Molecular Properties

Compound Name1-(2,2-diethoxyethoxy)-4-ethoxybenzene
PubChem CID63629434
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name1-(2,2-diethoxyethoxy)-4-ethoxybenzene
SMILESCCOc1ccc(OCC(OCC)OCC)cc1
InChIInChI=1S/C14H22O4/c1-4-15-12-7-9-13(10-8-12)18-11-14(16-5-2)17-6-3/h7-10,14H,4-6,11H2,1-3H3
InChIKeyYOPYEHCNQZWREJ-UHFFFAOYSA-N
XLogP2.86
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-diethoxyethoxy)-4-ethylbenzene
CID 12661794
(1S)-1-[4-(2,2-diethoxyethoxy)phenyl]ethanol
CID 104928926
N-[[4-(2,2-diethoxyethoxy)phenyl]methyl]propan-1-amine
CID 54572902
1-(2,2-diethoxyethoxy)-3,5-dimethylbenzene
CID 12661792
1-bromo-4-(2,2-diethoxyethoxy)-2-methylbenzene
CID 83141135
3-[4-(2,2-diethoxyethoxy)phenyl]-2-ethoxypropanoic acid
CID 70033606
1-(2,2-diethoxyethoxy)-3,5-difluorobenzene
CID 63628941
3-(2,2-diethoxyethoxy)aniline
CID 81089807
3-(4-ethoxyphenoxy)-2-methylpropan-1-ol
CID 112507833
7-(2,2-diethoxyethoxy)quinoline
CID 107314200
2-(2,2-diethoxyethoxy)-1,3-dimethylbenzene
CID 13416780
4-(2,2-diethoxyethoxy)-2-methyl-1-nitrobenzene
CID 13416781

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethoxy)-4-ethoxybenzene?
The IUPAC name of 1-(2,2-diethoxyethoxy)-4-ethoxybenzene (CID 63629434) is 1-(2,2-diethoxyethoxy)-4-ethoxybenzene.
What is the SMILES notation for 1-(2,2-diethoxyethoxy)-4-ethoxybenzene?
The canonical SMILES for 1-(2,2-diethoxyethoxy)-4-ethoxybenzene is CCOc1ccc(OCC(OCC)OCC)cc1.
What is the InChIKey of 1-(2,2-diethoxyethoxy)-4-ethoxybenzene?
The InChIKey is YOPYEHCNQZWREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-4-15-12-7-9-13(10-8-12)18-11-14(16-5-2)17-6-3/h7-10,14H,4-6,11H2,1-3H3.
What are the key properties of 1-(2,2-diethoxyethoxy)-4-ethoxybenzene?
1-(2,2-diethoxyethoxy)-4-ethoxybenzene has a molecular weight of 254.33 g/mol, XLogP of 2.86, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethoxy)-4-ethoxybenzene is sourced from PubChem (CID 63629434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).