2-methoxy-1-(methoxymethoxy)-4-(3-methylbut-2-enoxy)benzene

C14H20O4 — CID 11207483

IUPAC2-methoxy-1-(methoxymethoxy)-4-(3-methylbut-2-enoxy)benzene
SMILESCOCOc1ccc(OCC=C(C)C)cc1OC
InChIInChI=1S/C14H20O4/c1-11(2)7-8-17-12-5-6-13(18-10-15-3)14(9-12)16-4/h5-7,9H,8,10H2,1-4H3
InChIKeyFFOSPADBYYRTCE-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.02
Rot. Bonds7

About 2-methoxy-1-(methoxymethoxy)-4-(3-methylbut-2-enoxy)benzene

2-methoxy-1-(methoxymethoxy)-4-(3-methylbut-2-enoxy)benzene (PubChem CID 11207483) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-methoxy-1-(methoxymethoxy)-4-(3-methylbut-2-enoxy)benzene.

Molecular Properties

Compound Name2-methoxy-1-(methoxymethoxy)-4-(3-methylbut-2-enoxy)benzene
PubChem CID11207483
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-methoxy-1-(methoxymethoxy)-4-(3-methylbut-2-enoxy)benzene
SMILESCOCOc1ccc(OCC=C(C)C)cc1OC
InChIInChI=1S/C14H20O4/c1-11(2)7-8-17-12-5-6-13(18-10-15-3)14(9-12)16-4/h5-7,9H,8,10H2,1-4H3
InChIKeyFFOSPADBYYRTCE-UHFFFAOYSA-N
XLogP3.02
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.02
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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Related Compounds

1-methoxy-2-(3-methylbut-2-enoxy)benzene
CID 59165590
1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene;1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-[(E)-prop-1-enyl]benzene;1-(3-methylbut-2-enoxy)-4-[(E)-prop-1-enyl]benzene
CID 145196278
2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene
CID 118066872
(E)-3-[2-methoxy-4-(3-methylbut-2-enoxy)phenyl]-1-phenylprop-2-en-1-one
CID 18178547
4-methoxy-2-(3-methylbut-2-enoxy)benzoic acid
CID 60693202
[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methanamine
CID 61268524
4-ethenyl-2-methoxy-1-(methoxymethoxy)benzene
CID 59623316
[5-methoxy-2-(methoxymethoxy)phenyl]boronic acid
CID 112694276
[2-methoxy-4-(methoxymethoxy)phenyl]boronic acid
CID 10889201
4-[3-methoxy-4-(methoxymethoxy)phenyl]but-3-en-1-ol
CID 54330886
4-(methoxymethoxy)-3-(3-methylbut-2-enyl)benzaldehyde
CID 14559752
2-fluoro-4-(3-methylbut-2-enoxy)phenol
CID 19816519

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(methoxymethoxy)-4-(3-methylbut-2-enoxy)benzene?
The IUPAC name of 2-methoxy-1-(methoxymethoxy)-4-(3-methylbut-2-enoxy)benzene (CID 11207483) is 2-methoxy-1-(methoxymethoxy)-4-(3-methylbut-2-enoxy)benzene.
What is the SMILES notation for 2-methoxy-1-(methoxymethoxy)-4-(3-methylbut-2-enoxy)benzene?
The canonical SMILES for 2-methoxy-1-(methoxymethoxy)-4-(3-methylbut-2-enoxy)benzene is COCOc1ccc(OCC=C(C)C)cc1OC.
What is the InChIKey of 2-methoxy-1-(methoxymethoxy)-4-(3-methylbut-2-enoxy)benzene?
The InChIKey is FFOSPADBYYRTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-11(2)7-8-17-12-5-6-13(18-10-15-3)14(9-12)16-4/h5-7,9H,8,10H2,1-4H3.
What are the key properties of 2-methoxy-1-(methoxymethoxy)-4-(3-methylbut-2-enoxy)benzene?
2-methoxy-1-(methoxymethoxy)-4-(3-methylbut-2-enoxy)benzene has a molecular weight of 252.31 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(methoxymethoxy)-4-(3-methylbut-2-enoxy)benzene is sourced from PubChem (CID 11207483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).