1-(2-ethylbut-3-enoxymethyl)-4-methoxybenzene

C14H20O2 — CID 101467389

IUPAC1-(2-ethylbut-3-enoxymethyl)-4-methoxybenzene
SMILESC=CC(CC)COCc1ccc(OC)cc1
InChIInChI=1S/C14H20O2/c1-4-12(5-2)10-16-11-13-6-8-14(15-3)9-7-13/h4,6-9,12H,1,5,10-11H2,2-3H3
InChIKeyVIVUSCQXDJVRJU-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.42
Rot. Bonds7

About 1-(2-ethylbut-3-enoxymethyl)-4-methoxybenzene

1-(2-ethylbut-3-enoxymethyl)-4-methoxybenzene (PubChem CID 101467389) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(2-ethylbut-3-enoxymethyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2-ethylbut-3-enoxymethyl)-4-methoxybenzene
PubChem CID101467389
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(2-ethylbut-3-enoxymethyl)-4-methoxybenzene
SMILESC=CC(CC)COCc1ccc(OC)cc1
InChIInChI=1S/C14H20O2/c1-4-12(5-2)10-16-11-13-6-8-14(15-3)9-7-13/h4,6-9,12H,1,5,10-11H2,2-3H3
InChIKeyVIVUSCQXDJVRJU-UHFFFAOYSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene
CID 91404007
(E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol
CID 10084181
1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene
CID 71377965
(2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol
CID 102381132
(3R)-6-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 24864257
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
1-(ethylsulfanylmethoxymethyl)-4-methoxybenzene
CID 101098323
1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one
CID 58822506
1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene
CID 78130053
(E,2S)-4-iodo-1-[(4-methoxyphenyl)methoxy]but-3-en-2-ol
CID 56651391
(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol
CID 11010385
(Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal
CID 10657341

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbut-3-enoxymethyl)-4-methoxybenzene?
The IUPAC name of 1-(2-ethylbut-3-enoxymethyl)-4-methoxybenzene (CID 101467389) is 1-(2-ethylbut-3-enoxymethyl)-4-methoxybenzene.
What is the SMILES notation for 1-(2-ethylbut-3-enoxymethyl)-4-methoxybenzene?
The canonical SMILES for 1-(2-ethylbut-3-enoxymethyl)-4-methoxybenzene is C=CC(CC)COCc1ccc(OC)cc1.
What is the InChIKey of 1-(2-ethylbut-3-enoxymethyl)-4-methoxybenzene?
The InChIKey is VIVUSCQXDJVRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-12(5-2)10-16-11-13-6-8-14(15-3)9-7-13/h4,6-9,12H,1,5,10-11H2,2-3H3.
What are the key properties of 1-(2-ethylbut-3-enoxymethyl)-4-methoxybenzene?
1-(2-ethylbut-3-enoxymethyl)-4-methoxybenzene has a molecular weight of 220.31 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbut-3-enoxymethyl)-4-methoxybenzene is sourced from PubChem (CID 101467389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).