1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene

C15H22O2 — CID 78130053

IUPAC1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene
SMILESC=C(C)CC(C)COCc1ccc(OC)cc1
InChIInChI=1S/C15H22O2/c1-12(2)9-13(3)10-17-11-14-5-7-15(16-4)8-6-14/h5-8,13H,1,9-11H2,2-4H3
InChIKeyYOIJJWRBFOQNMC-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.81
Rot. Bonds7

About 1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene

1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene (PubChem CID 78130053) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene
PubChem CID78130053
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene
SMILESC=C(C)CC(C)COCc1ccc(OC)cc1
InChIInChI=1S/C15H22O2/c1-12(2)9-13(3)10-17-11-14-5-7-15(16-4)8-6-14/h5-8,13H,1,9-11H2,2-4H3
InChIKeyYOIJJWRBFOQNMC-UHFFFAOYSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.81
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

(2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol
CID 71079760
(3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol
CID 11219333
(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol
CID 11010385
(5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol
CID 46896141
methyl (3S,6R)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-6-methylheptanoate
CID 10063989
5-hydroxy-1-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylhept-6-en-3-one
CID 58822522
(2S,3S)-4-[(4-methoxyphenyl)methoxy]-2-methyl-2-prop-1-en-2-ylbutane-1,3-diol
CID 11414824
1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene
CID 71377965
1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene
CID 91404007
1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one
CID 58822506
(2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol
CID 10857567
1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene
CID 10798623

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene?
The IUPAC name of 1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene (CID 78130053) is 1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene.
What is the SMILES notation for 1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene?
The canonical SMILES for 1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene is C=C(C)CC(C)COCc1ccc(OC)cc1.
What is the InChIKey of 1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene?
The InChIKey is YOIJJWRBFOQNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-12(2)9-13(3)10-17-11-14-5-7-15(16-4)8-6-14/h5-8,13H,1,9-11H2,2-4H3.
What are the key properties of 1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene?
1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene has a molecular weight of 234.34 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene is sourced from PubChem (CID 78130053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).