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

C12H16O2 — CID 101341939

IUPAC1-[[(E)-but-2-enoxy]methoxy]-2-methylbenzene
SMILESC/C=C/COCOc1ccccc1C
InChIInChI=1S/C12H16O2/c1-3-4-9-13-10-14-12-8-6-5-7-11(12)2/h3-8H,9-10H2,1-2H3/b4-3+
InChIKeyWLKQRKAFTXQFIP-ONEGZZNKSA-N
MW192.26 g/mol
LogP2.92
Rot. Bonds5

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

1-[[(E)-but-2-enoxy]methoxy]-2-methylbenzene (PubChem CID 101341939) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[[(E)-but-2-enoxy]methoxy]-2-methylbenzene.

Molecular Properties

Compound Name1-[[(E)-but-2-enoxy]methoxy]-2-methylbenzene
PubChem CID101341939
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-[[(E)-but-2-enoxy]methoxy]-2-methylbenzene
SMILESC/C=C/COCOc1ccccc1C
InChIInChI=1S/C12H16O2/c1-3-4-9-13-10-14-12-8-6-5-7-11(12)2/h3-8H,9-10H2,1-2H3/b4-3+
InChIKeyWLKQRKAFTXQFIP-ONEGZZNKSA-N
XLogP2.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(E)-but-2-enoxy]-2-methylbenzene
CID 60773432
methane;1-methyl-2-[(2-methylphenoxy)methoxy]benzene;1,4-xylene
CID 162159087
1-[[(E)-but-2-enoxy]methyl]-2-[2-[2-[[(E)-but-2-enoxy]methyl]phenoxy]ethoxy]benzene
CID 102197349
but-2-enoxybenzene
CID 564963
1-chloro-4-[(2-methylphenoxy)methoxy]benzene
CID 59416592
1-bromo-2-[(E)-but-2-enoxy]benzene
CID 13357581
2-[(E)-but-2-enoxy]benzonitrile
CID 15264428
(Z)-1-(2-methylphenoxy)but-2-en-2-amine
CID 167112053
[(E)-but-2-enyl]-tris[2-(methoxymethoxy)phenyl]phosphanium
CID 101016733
ethene;(2-methylphenoxy)methanamine
CID 174405951
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

Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-but-2-enoxy]methoxy]-2-methylbenzene?
The IUPAC name of 1-[[(E)-but-2-enoxy]methoxy]-2-methylbenzene (CID 101341939) is 1-[[(E)-but-2-enoxy]methoxy]-2-methylbenzene.
What is the SMILES notation for 1-[[(E)-but-2-enoxy]methoxy]-2-methylbenzene?
The canonical SMILES for 1-[[(E)-but-2-enoxy]methoxy]-2-methylbenzene is C/C=C/COCOc1ccccc1C.
What is the InChIKey of 1-[[(E)-but-2-enoxy]methoxy]-2-methylbenzene?
The InChIKey is WLKQRKAFTXQFIP-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-4-9-13-10-14-12-8-6-5-7-11(12)2/h3-8H,9-10H2,1-2H3/b4-3+.
What are the key properties of 1-[[(E)-but-2-enoxy]methoxy]-2-methylbenzene?
1-[[(E)-but-2-enoxy]methoxy]-2-methylbenzene has a molecular weight of 192.26 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-but-2-enoxy]methoxy]-2-methylbenzene is sourced from PubChem (CID 101341939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).