anisole;benzaldehyde;ethane;methoxymethane

C20H32O3 — CID 159133619

IUPACanisole;benzaldehyde;ethane;methoxymethane
SMILESCC.CC.COC.COc1ccccc1.O=Cc1ccccc1
InChIInChI=1S/C7H8O.C7H6O.C2H6O.2C2H6/c1-8-7-5-3-2-4-6-7;8-6-7-4-2-1-3-5-7;1-3-2;2*1-2/h2-6H,1H3;1-6H;1-2H3;2*1-2H3
InChIKeyKHEYQIOKOQFKDP-UHFFFAOYSA-N
MW320.47 g/mol
LogP5.51
Rot. Bonds2

About anisole;benzaldehyde;ethane;methoxymethane

anisole;benzaldehyde;ethane;methoxymethane (PubChem CID 159133619) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is anisole;benzaldehyde;ethane;methoxymethane.

Molecular Properties

Compound Nameanisole;benzaldehyde;ethane;methoxymethane
PubChem CID159133619
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Nameanisole;benzaldehyde;ethane;methoxymethane
SMILESCC.CC.COC.COc1ccccc1.O=Cc1ccccc1
InChIInChI=1S/C7H8O.C7H6O.C2H6O.2C2H6/c1-8-7-5-3-2-4-6-7;8-6-7-4-2-1-3-5-7;1-3-2;2*1-2/h2-6H,1H3;1-6H;1-2H3;2*1-2H3
InChIKeyKHEYQIOKOQFKDP-UHFFFAOYSA-N
XLogP5.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.47
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of anisole;benzaldehyde;ethane;methoxymethane?
The IUPAC name of anisole;benzaldehyde;ethane;methoxymethane (CID 159133619) is anisole;benzaldehyde;ethane;methoxymethane.
What is the SMILES notation for anisole;benzaldehyde;ethane;methoxymethane?
The canonical SMILES for anisole;benzaldehyde;ethane;methoxymethane is CC.CC.COC.COc1ccccc1.O=Cc1ccccc1.
What is the InChIKey of anisole;benzaldehyde;ethane;methoxymethane?
The InChIKey is KHEYQIOKOQFKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C7H6O.C2H6O.2C2H6/c1-8-7-5-3-2-4-6-7;8-6-7-4-2-1-3-5-7;1-3-2;2*1-2/h2-6H,1H3;1-6H;1-2H3;2*1-2H3.
What are the key properties of anisole;benzaldehyde;ethane;methoxymethane?
anisole;benzaldehyde;ethane;methoxymethane has a molecular weight of 320.47 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;benzaldehyde;ethane;methoxymethane is sourced from PubChem (CID 159133619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).