1-but-3-enoxy-4-chlorobenzene

C10H11ClO — CID 14085932

IUPAC1-but-3-enoxy-4-chlorobenzene
SMILESC=CCCOc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClO/c1-2-3-8-12-10-6-4-9(11)5-7-10/h2,4-7H,1,3,8H2
InChIKeyCQUQTUKNRMFHRT-UHFFFAOYSA-N
MW182.65 g/mol
LogP3.29
Rot. Bonds4

About 1-but-3-enoxy-4-chlorobenzene

1-but-3-enoxy-4-chlorobenzene (PubChem CID 14085932) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 1-but-3-enoxy-4-chlorobenzene.

Molecular Properties

Compound Name1-but-3-enoxy-4-chlorobenzene
PubChem CID14085932
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name1-but-3-enoxy-4-chlorobenzene
SMILESC=CCCOc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClO/c1-2-3-8-12-10-6-4-9(11)5-7-10/h2,4-7H,1,3,8H2
InChIKeyCQUQTUKNRMFHRT-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enoxy-4-chlorobenzene?
The IUPAC name of 1-but-3-enoxy-4-chlorobenzene (CID 14085932) is 1-but-3-enoxy-4-chlorobenzene.
What is the SMILES notation for 1-but-3-enoxy-4-chlorobenzene?
The canonical SMILES for 1-but-3-enoxy-4-chlorobenzene is C=CCCOc1ccc(Cl)cc1.
What is the InChIKey of 1-but-3-enoxy-4-chlorobenzene?
The InChIKey is CQUQTUKNRMFHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c1-2-3-8-12-10-6-4-9(11)5-7-10/h2,4-7H,1,3,8H2.
What are the key properties of 1-but-3-enoxy-4-chlorobenzene?
1-but-3-enoxy-4-chlorobenzene has a molecular weight of 182.65 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enoxy-4-chlorobenzene is sourced from PubChem (CID 14085932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).