1-but-3-enoxy-2-methoxybenzene

C11H14O2 — CID 56629510

IUPAC1-but-3-enoxy-2-methoxybenzene
SMILESC=CCCOc1ccccc1OC
InChIInChI=1S/C11H14O2/c1-3-4-9-13-11-8-6-5-7-10(11)12-2/h3,5-8H,1,4,9H2,2H3
InChIKeyBVEKDQKMVGZWET-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.65
Rot. Bonds5

About 1-but-3-enoxy-2-methoxybenzene

1-but-3-enoxy-2-methoxybenzene (PubChem CID 56629510) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-but-3-enoxy-2-methoxybenzene.

Molecular Properties

Compound Name1-but-3-enoxy-2-methoxybenzene
PubChem CID56629510
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-but-3-enoxy-2-methoxybenzene
SMILESC=CCCOc1ccccc1OC
InChIInChI=1S/C11H14O2/c1-3-4-9-13-11-8-6-5-7-10(11)12-2/h3,5-8H,1,4,9H2,2H3
InChIKeyBVEKDQKMVGZWET-UHFFFAOYSA-N
XLogP2.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
CID 106401757
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
anisole;but-3-enoxybenzene
CID 174761838
2-bromo-1,3-bis(but-3-enoxy)benzene
CID 11077332
1-but-3-enoxy-2-phenylbenzene
CID 154014031
2-but-3-enoxy-5-(2-methoxyphenyl)-1-methylimidazole
CID 73292689
2-(2-methoxyphenoxy)ethyl-methylazanium
CID 7438015
1-(4-chlorobutoxy)-2-methoxybenzene
CID 22048718
3-(2-methoxyphenoxy)-N-prop-2-enylpropanamide
CID 17034572
1-(2-ethoxyethoxy)-2-methoxybenzene
CID 57249631
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
1-methoxy-2-(4-phenoxybutoxy)benzene
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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enoxy-2-methoxybenzene?
The IUPAC name of 1-but-3-enoxy-2-methoxybenzene (CID 56629510) is 1-but-3-enoxy-2-methoxybenzene.
What is the SMILES notation for 1-but-3-enoxy-2-methoxybenzene?
The canonical SMILES for 1-but-3-enoxy-2-methoxybenzene is C=CCCOc1ccccc1OC.
What is the InChIKey of 1-but-3-enoxy-2-methoxybenzene?
The InChIKey is BVEKDQKMVGZWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-4-9-13-11-8-6-5-7-10(11)12-2/h3,5-8H,1,4,9H2,2H3.
What are the key properties of 1-but-3-enoxy-2-methoxybenzene?
1-but-3-enoxy-2-methoxybenzene has a molecular weight of 178.23 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enoxy-2-methoxybenzene is sourced from PubChem (CID 56629510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).