1-[(E)-but-2-enoxy]-2-methylbenzene

C11H14O — CID 60773432

IUPAC1-[(E)-but-2-enoxy]-2-methylbenzene
SMILESC/C=C/COc1ccccc1C
InChIInChI=1S/C11H14O/c1-3-4-9-12-11-8-6-5-7-10(11)2/h3-8H,9H2,1-2H3/b4-3+
InChIKeyYALGDKSHRQTYBL-ONEGZZNKSA-N
MW162.23 g/mol
LogP2.95
Rot. Bonds3

About 1-[(E)-but-2-enoxy]-2-methylbenzene

1-[(E)-but-2-enoxy]-2-methylbenzene (PubChem CID 60773432) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-[(E)-but-2-enoxy]-2-methylbenzene.

Molecular Properties

Compound Name1-[(E)-but-2-enoxy]-2-methylbenzene
PubChem CID60773432
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name1-[(E)-but-2-enoxy]-2-methylbenzene
SMILESC/C=C/COc1ccccc1C
InChIInChI=1S/C11H14O/c1-3-4-9-12-11-8-6-5-7-10(11)2/h3-8H,9H2,1-2H3/b4-3+
InChIKeyYALGDKSHRQTYBL-ONEGZZNKSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[[(E)-but-2-enoxy]methoxy]-2-methylbenzene
CID 101341939
1-bromo-2-[(E)-but-2-enoxy]benzene
CID 13357581
2-[(E)-but-2-enoxy]benzonitrile
CID 15264428
1-[2-[(E)-but-2-enoxy]phenyl]ethanol
CID 43504052
2,3-bis[2-[(E)-but-2-enoxy]phenyl]butane-2,3-diol
CID 12072336
2-[2-[(E)-but-2-enoxy]phenyl]acetic acid
CID 80742416
but-2-enoxybenzene
CID 564963
1-[(E)-but-2-enoxy]-4-methoxynaphthalene
CID 134894339
1-[2-[(E)-but-2-enoxy]phenyl]-N-methylmethanimine oxide
CID 121011082
(Z)-1-(2-methylphenoxy)but-2-en-2-amine
CID 167112053
3-[(E)-but-2-enoxy]-2-fluoro-N-methylaniline
CID 68777440
2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 22680049

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enoxy]-2-methylbenzene?
The IUPAC name of 1-[(E)-but-2-enoxy]-2-methylbenzene (CID 60773432) is 1-[(E)-but-2-enoxy]-2-methylbenzene.
What is the SMILES notation for 1-[(E)-but-2-enoxy]-2-methylbenzene?
The canonical SMILES for 1-[(E)-but-2-enoxy]-2-methylbenzene is C/C=C/COc1ccccc1C.
What is the InChIKey of 1-[(E)-but-2-enoxy]-2-methylbenzene?
The InChIKey is YALGDKSHRQTYBL-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14O/c1-3-4-9-12-11-8-6-5-7-10(11)2/h3-8H,9H2,1-2H3/b4-3+.
What are the key properties of 1-[(E)-but-2-enoxy]-2-methylbenzene?
1-[(E)-but-2-enoxy]-2-methylbenzene has a molecular weight of 162.23 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enoxy]-2-methylbenzene is sourced from PubChem (CID 60773432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).