1-(diethoxymethyl)-3-methoxybenzene

C12H18O3 — CID 11424357

IUPAC1-(diethoxymethyl)-3-methoxybenzene
SMILESCCOC(OCC)c1cccc(OC)c1
InChIInChI=1S/C12H18O3/c1-4-14-12(15-5-2)10-7-6-8-11(9-10)13-3/h6-9,12H,4-5H2,1-3H3
InChIKeyIVBHAPYCHZUCER-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.77
Rot. Bonds6

About 1-(diethoxymethyl)-3-methoxybenzene

1-(diethoxymethyl)-3-methoxybenzene (PubChem CID 11424357) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(diethoxymethyl)-3-methoxybenzene.

Molecular Properties

Compound Name1-(diethoxymethyl)-3-methoxybenzene
PubChem CID11424357
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-(diethoxymethyl)-3-methoxybenzene
SMILESCCOC(OCC)c1cccc(OC)c1
InChIInChI=1S/C12H18O3/c1-4-14-12(15-5-2)10-7-6-8-11(9-10)13-3/h6-9,12H,4-5H2,1-3H3
InChIKeyIVBHAPYCHZUCER-UHFFFAOYSA-N
XLogP2.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(diethoxymethyl)-3-methoxybenzene?
The IUPAC name of 1-(diethoxymethyl)-3-methoxybenzene (CID 11424357) is 1-(diethoxymethyl)-3-methoxybenzene.
What is the SMILES notation for 1-(diethoxymethyl)-3-methoxybenzene?
The canonical SMILES for 1-(diethoxymethyl)-3-methoxybenzene is CCOC(OCC)c1cccc(OC)c1.
What is the InChIKey of 1-(diethoxymethyl)-3-methoxybenzene?
The InChIKey is IVBHAPYCHZUCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-4-14-12(15-5-2)10-7-6-8-11(9-10)13-3/h6-9,12H,4-5H2,1-3H3.
What are the key properties of 1-(diethoxymethyl)-3-methoxybenzene?
1-(diethoxymethyl)-3-methoxybenzene has a molecular weight of 210.27 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethoxymethyl)-3-methoxybenzene is sourced from PubChem (CID 11424357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).