1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]ethanone

C22H32O4 — CID 157270346

IUPAC1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]ethanone
SMILESC=C(C)C(CC=C(C)C)Cc1c(OCOC)cc(OC)c(C(C)=O)c1C
InChIInChI=1S/C22H32O4/c1-14(2)9-10-18(15(3)4)11-19-16(5)22(17(6)23)21(25-8)12-20(19)26-13-24-7/h9,12,18H,3,10-11,13H2,1-2,4-8H3
InChIKeyGKVHNGPKSZYGMT-UHFFFAOYSA-N
MW360.49 g/mol
LogP5.28
Rot. Bonds10

About 1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]ethanone

1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]ethanone (PubChem CID 157270346) has the molecular formula C22H32O4 and a molecular weight of 360.49 g/mol. Its IUPAC name is 1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]ethanone
PubChem CID157270346
Molecular FormulaC22H32O4
Molecular Weight360.49 g/mol
Exact Mass360.23
IUPAC Name1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]ethanone
SMILESC=C(C)C(CC=C(C)C)Cc1c(OCOC)cc(OC)c(C(C)=O)c1C
InChIInChI=1S/C22H32O4/c1-14(2)9-10-18(15(3)4)11-19-16(5)22(17(6)23)21(25-8)12-20(19)26-13-24-7/h9,12,18H,3,10-11,13H2,1-2,4-8H3
InChIKeyGKVHNGPKSZYGMT-UHFFFAOYSA-N
XLogP5.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.49
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]ethanone?
The IUPAC name of 1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]ethanone (CID 157270346) is 1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]ethanone.
What is the SMILES notation for 1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]ethanone?
The canonical SMILES for 1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]ethanone is C=C(C)C(CC=C(C)C)Cc1c(OCOC)cc(OC)c(C(C)=O)c1C.
What is the InChIKey of 1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]ethanone?
The InChIKey is GKVHNGPKSZYGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O4/c1-14(2)9-10-18(15(3)4)11-19-16(5)22(17(6)23)21(25-8)12-20(19)26-13-24-7/h9,12,18H,3,10-11,13H2,1-2,4-8H3.
What are the key properties of 1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]ethanone?
1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]ethanone has a molecular weight of 360.49 g/mol, XLogP of 5.28, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]ethanone is sourced from PubChem (CID 157270346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).