4-(2-ethoxy-1,2-dimethoxyethyl)-1,2-dimethoxybenzene

C14H22O5 — CID 6424873

IUPAC4-(2-ethoxy-1,2-dimethoxyethyl)-1,2-dimethoxybenzene
SMILESCCOC(OC)C(OC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H22O5/c1-6-19-14(18-5)13(17-4)10-7-8-11(15-2)12(9-10)16-3/h7-9,13-14H,6H2,1-5H3
InChIKeyWBLUCXWAOXEWKV-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.40
Rot. Bonds8

About 4-(2-ethoxy-1,2-dimethoxyethyl)-1,2-dimethoxybenzene

4-(2-ethoxy-1,2-dimethoxyethyl)-1,2-dimethoxybenzene (PubChem CID 6424873) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is 4-(2-ethoxy-1,2-dimethoxyethyl)-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-(2-ethoxy-1,2-dimethoxyethyl)-1,2-dimethoxybenzene
PubChem CID6424873
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name4-(2-ethoxy-1,2-dimethoxyethyl)-1,2-dimethoxybenzene
SMILESCCOC(OC)C(OC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H22O5/c1-6-19-14(18-5)13(17-4)10-7-8-11(15-2)12(9-10)16-3/h7-9,13-14H,6H2,1-5H3
InChIKeyWBLUCXWAOXEWKV-UHFFFAOYSA-N
XLogP2.40
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
1-(3,4-dimethoxyphenyl)-2-ethoxy-N-methylbutan-1-amine
CID 116716616
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
1-(3,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
CID 116725272
(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutan-1-amine
CID 171210844
4-[(1S,2S)-1-ethoxy-3-hydroxy-1-[4-[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-methoxypropan-2-yl]oxy-3-methoxyphenyl]propan-2-yl]-2-methoxyphenol
CID 134142160
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine
CID 116723089
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-1,2-dimethoxyethyl)-1,2-dimethoxybenzene?
The IUPAC name of 4-(2-ethoxy-1,2-dimethoxyethyl)-1,2-dimethoxybenzene (CID 6424873) is 4-(2-ethoxy-1,2-dimethoxyethyl)-1,2-dimethoxybenzene.
What is the SMILES notation for 4-(2-ethoxy-1,2-dimethoxyethyl)-1,2-dimethoxybenzene?
The canonical SMILES for 4-(2-ethoxy-1,2-dimethoxyethyl)-1,2-dimethoxybenzene is CCOC(OC)C(OC)c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-(2-ethoxy-1,2-dimethoxyethyl)-1,2-dimethoxybenzene?
The InChIKey is WBLUCXWAOXEWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-6-19-14(18-5)13(17-4)10-7-8-11(15-2)12(9-10)16-3/h7-9,13-14H,6H2,1-5H3.
What are the key properties of 4-(2-ethoxy-1,2-dimethoxyethyl)-1,2-dimethoxybenzene?
4-(2-ethoxy-1,2-dimethoxyethyl)-1,2-dimethoxybenzene has a molecular weight of 270.32 g/mol, XLogP of 2.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-1,2-dimethoxyethyl)-1,2-dimethoxybenzene is sourced from PubChem (CID 6424873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).