1-[2-methoxy-4,6-bis(methoxymethoxy)-3-(3-methylbut-2-enyl)phenyl]ethanone

C18H26O6 — CID 102394443

IUPAC1-[2-methoxy-4,6-bis(methoxymethoxy)-3-(3-methylbut-2-enyl)phenyl]ethanone
SMILESCOCOc1cc(OCOC)c(C(C)=O)c(OC)c1CC=C(C)C
InChIInChI=1S/C18H26O6/c1-12(2)7-8-14-15(23-10-20-4)9-16(24-11-21-5)17(13(3)19)18(14)22-6/h7,9H,8,10-11H2,1-6H3
InChIKeyFOXOKRKUZDZYRF-UHFFFAOYSA-N
MW338.40 g/mol
LogP3.37
Rot. Bonds10

About 1-[2-methoxy-4,6-bis(methoxymethoxy)-3-(3-methylbut-2-enyl)phenyl]ethanone

1-[2-methoxy-4,6-bis(methoxymethoxy)-3-(3-methylbut-2-enyl)phenyl]ethanone (PubChem CID 102394443) has the molecular formula C18H26O6 and a molecular weight of 338.40 g/mol. Its IUPAC name is 1-[2-methoxy-4,6-bis(methoxymethoxy)-3-(3-methylbut-2-enyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-methoxy-4,6-bis(methoxymethoxy)-3-(3-methylbut-2-enyl)phenyl]ethanone
PubChem CID102394443
Molecular FormulaC18H26O6
Molecular Weight338.40 g/mol
Exact Mass338.17
IUPAC Name1-[2-methoxy-4,6-bis(methoxymethoxy)-3-(3-methylbut-2-enyl)phenyl]ethanone
SMILESCOCOc1cc(OCOC)c(C(C)=O)c(OC)c1CC=C(C)C
InChIInChI=1S/C18H26O6/c1-12(2)7-8-14-15(23-10-20-4)9-16(24-11-21-5)17(13(3)19)18(14)22-6/h7,9H,8,10-11H2,1-6H3
InChIKeyFOXOKRKUZDZYRF-UHFFFAOYSA-N
XLogP3.37
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4,6-bis(methoxymethoxy)phenyl]ethanone
CID 11794855
(E)-3-(3-fluoro-4-methoxyphenyl)-1-[6-methoxy-2,4-bis(methoxymethoxy)-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
CID 86273903
1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]ethanone
CID 157270346
1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone
CID 10935461
1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone
CID 156853152
3,4-bis(methoxymethoxy)-2-(3-methylbut-2-enyl)benzaldehyde
CID 11098397
(E)-3-(1-benzofuran-2-yl)-1-[6-methoxy-2,4-bis(methoxymethoxy)-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
CID 170173618
3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde
CID 146193205
3,4-bis(methoxymethoxy)-5-(3-methylbut-2-enyl)benzaldehyde
CID 57480623
4-(methoxymethoxy)-3-(3-methylbut-2-enyl)benzaldehyde
CID 14559752
1,3-bis(methoxymethoxy)-5-[(E)-2-[4-(methoxymethoxy)-3-nitrophenyl]ethenyl]-2-(3-methylbut-2-enyl)benzene
CID 68976724
1-[2-hydroxy-4,5,6-trimethoxy-3-(methoxymethoxy)phenyl]ethanone
CID 168863304

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4,6-bis(methoxymethoxy)-3-(3-methylbut-2-enyl)phenyl]ethanone?
The IUPAC name of 1-[2-methoxy-4,6-bis(methoxymethoxy)-3-(3-methylbut-2-enyl)phenyl]ethanone (CID 102394443) is 1-[2-methoxy-4,6-bis(methoxymethoxy)-3-(3-methylbut-2-enyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-methoxy-4,6-bis(methoxymethoxy)-3-(3-methylbut-2-enyl)phenyl]ethanone?
The canonical SMILES for 1-[2-methoxy-4,6-bis(methoxymethoxy)-3-(3-methylbut-2-enyl)phenyl]ethanone is COCOc1cc(OCOC)c(C(C)=O)c(OC)c1CC=C(C)C.
What is the InChIKey of 1-[2-methoxy-4,6-bis(methoxymethoxy)-3-(3-methylbut-2-enyl)phenyl]ethanone?
The InChIKey is FOXOKRKUZDZYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O6/c1-12(2)7-8-14-15(23-10-20-4)9-16(24-11-21-5)17(13(3)19)18(14)22-6/h7,9H,8,10-11H2,1-6H3.
What are the key properties of 1-[2-methoxy-4,6-bis(methoxymethoxy)-3-(3-methylbut-2-enyl)phenyl]ethanone?
1-[2-methoxy-4,6-bis(methoxymethoxy)-3-(3-methylbut-2-enyl)phenyl]ethanone has a molecular weight of 338.40 g/mol, XLogP of 3.37, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4,6-bis(methoxymethoxy)-3-(3-methylbut-2-enyl)phenyl]ethanone is sourced from PubChem (CID 102394443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).