anisole;benzaldehyde;ethane;2-methoxyacetaldehyde;methoxymethane

C23H38O5 — CID 160882228

IUPACanisole;benzaldehyde;ethane;2-methoxyacetaldehyde;methoxymethane
SMILESCC.CC.COC.COCC=O.COc1ccccc1.O=Cc1ccccc1
InChIInChI=1S/C7H8O.C7H6O.C3H6O2.C2H6O.2C2H6/c1-8-7-5-3-2-4-6-7;8-6-7-4-2-1-3-5-7;1-5-3-2-4;1-3-2;2*1-2/h2-6H,1H3;1-6H;2H,3H2,1H3;1-2H3;2*1-2H3
InChIKeySNELAOVPYOEGBS-UHFFFAOYSA-N
MW394.55 g/mol
LogP5.34
Rot. Bonds4

About anisole;benzaldehyde;ethane;2-methoxyacetaldehyde;methoxymethane

anisole;benzaldehyde;ethane;2-methoxyacetaldehyde;methoxymethane (PubChem CID 160882228) has the molecular formula C23H38O5 and a molecular weight of 394.55 g/mol. Its IUPAC name is anisole;benzaldehyde;ethane;2-methoxyacetaldehyde;methoxymethane.

Molecular Properties

Compound Nameanisole;benzaldehyde;ethane;2-methoxyacetaldehyde;methoxymethane
PubChem CID160882228
Molecular FormulaC23H38O5
Molecular Weight394.55 g/mol
Exact Mass394.27
IUPAC Nameanisole;benzaldehyde;ethane;2-methoxyacetaldehyde;methoxymethane
SMILESCC.CC.COC.COCC=O.COc1ccccc1.O=Cc1ccccc1
InChIInChI=1S/C7H8O.C7H6O.C3H6O2.C2H6O.2C2H6/c1-8-7-5-3-2-4-6-7;8-6-7-4-2-1-3-5-7;1-5-3-2-4;1-3-2;2*1-2/h2-6H,1H3;1-6H;2H,3H2,1H3;1-2H3;2*1-2H3
InChIKeySNELAOVPYOEGBS-UHFFFAOYSA-N
XLogP5.34
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.55
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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anisole;benzaldehyde;ethane;methoxymethane
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CID 142165597
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4-methoxybenzaldehyde;toluene
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benzaldehyde;ethane;propane
CID 91184446
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
anisole;2-oxoethyl carbamate
CID 174834133
4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
CID 102406735
fluorobenzene;4-methoxybenzaldehyde
CID 175119443
4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane
CID 123717319

Frequently Asked Questions

What is the IUPAC name of anisole;benzaldehyde;ethane;2-methoxyacetaldehyde;methoxymethane?
The IUPAC name of anisole;benzaldehyde;ethane;2-methoxyacetaldehyde;methoxymethane (CID 160882228) is anisole;benzaldehyde;ethane;2-methoxyacetaldehyde;methoxymethane.
What is the SMILES notation for anisole;benzaldehyde;ethane;2-methoxyacetaldehyde;methoxymethane?
The canonical SMILES for anisole;benzaldehyde;ethane;2-methoxyacetaldehyde;methoxymethane is CC.CC.COC.COCC=O.COc1ccccc1.O=Cc1ccccc1.
What is the InChIKey of anisole;benzaldehyde;ethane;2-methoxyacetaldehyde;methoxymethane?
The InChIKey is SNELAOVPYOEGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C7H6O.C3H6O2.C2H6O.2C2H6/c1-8-7-5-3-2-4-6-7;8-6-7-4-2-1-3-5-7;1-5-3-2-4;1-3-2;2*1-2/h2-6H,1H3;1-6H;2H,3H2,1H3;1-2H3;2*1-2H3.
What are the key properties of anisole;benzaldehyde;ethane;2-methoxyacetaldehyde;methoxymethane?
anisole;benzaldehyde;ethane;2-methoxyacetaldehyde;methoxymethane has a molecular weight of 394.55 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;benzaldehyde;ethane;2-methoxyacetaldehyde;methoxymethane is sourced from PubChem (CID 160882228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).