1-(2,3-diethoxy-1-methoxypropyl)-4-methoxybenzene

C15H24O4 — CID 57089138

IUPAC1-(2,3-diethoxy-1-methoxypropyl)-4-methoxybenzene
SMILESCCOCC(OCC)C(OC)c1ccc(OC)cc1
InChIInChI=1S/C15H24O4/c1-5-18-11-14(19-6-2)15(17-4)12-7-9-13(16-3)10-8-12/h7-10,14-15H,5-6,11H2,1-4H3
InChIKeyDEEUOPZZRSXHQE-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.82
Rot. Bonds9

About 1-(2,3-diethoxy-1-methoxypropyl)-4-methoxybenzene

1-(2,3-diethoxy-1-methoxypropyl)-4-methoxybenzene (PubChem CID 57089138) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(2,3-diethoxy-1-methoxypropyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2,3-diethoxy-1-methoxypropyl)-4-methoxybenzene
PubChem CID57089138
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name1-(2,3-diethoxy-1-methoxypropyl)-4-methoxybenzene
SMILESCCOCC(OCC)C(OC)c1ccc(OC)cc1
InChIInChI=1S/C15H24O4/c1-5-18-11-14(19-6-2)15(17-4)12-7-9-13(16-3)10-8-12/h7-10,14-15H,5-6,11H2,1-4H3
InChIKeyDEEUOPZZRSXHQE-UHFFFAOYSA-N
XLogP2.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-1-(4-methoxyphenyl)-2-phenylethanol
CID 116757104
1-(2,3-diethoxy-3-methoxypropyl)-4-methoxybenzene
CID 19891142
2-(1-ethoxypropan-2-yloxy)-1-(4-methoxyphenyl)propan-1-ol
CID 103489637
1-(3-bromo-1-ethoxy-3-phenylpropyl)-4-methoxybenzene
CID 71384437
2-(1-ethoxypropan-2-yloxy)-1-(4-methoxyphenyl)propan-1-amine
CID 103487571
1-methoxy-4-[1-[2-(4-methoxyphenyl)butoxy]butan-2-yl]benzene
CID 139824565
[2-ethoxy-1-(4-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105279293
1-methoxy-1-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 91693922
(1S,2R)-1-methoxy-1-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine
CID 172635703
2-(1-ethoxypropan-2-yloxy)-1-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 103487772
2-(1-ethoxypropan-2-yloxy)-2-(4-methoxyphenyl)-N-methylethanamine
CID 103490183
[(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene
CID 143834566

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diethoxy-1-methoxypropyl)-4-methoxybenzene?
The IUPAC name of 1-(2,3-diethoxy-1-methoxypropyl)-4-methoxybenzene (CID 57089138) is 1-(2,3-diethoxy-1-methoxypropyl)-4-methoxybenzene.
What is the SMILES notation for 1-(2,3-diethoxy-1-methoxypropyl)-4-methoxybenzene?
The canonical SMILES for 1-(2,3-diethoxy-1-methoxypropyl)-4-methoxybenzene is CCOCC(OCC)C(OC)c1ccc(OC)cc1.
What is the InChIKey of 1-(2,3-diethoxy-1-methoxypropyl)-4-methoxybenzene?
The InChIKey is DEEUOPZZRSXHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-5-18-11-14(19-6-2)15(17-4)12-7-9-13(16-3)10-8-12/h7-10,14-15H,5-6,11H2,1-4H3.
What are the key properties of 1-(2,3-diethoxy-1-methoxypropyl)-4-methoxybenzene?
1-(2,3-diethoxy-1-methoxypropyl)-4-methoxybenzene has a molecular weight of 268.35 g/mol, XLogP of 2.82, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diethoxy-1-methoxypropyl)-4-methoxybenzene is sourced from PubChem (CID 57089138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).