4-butoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran

C18H22O2 — CID 11346272

IUPAC4-butoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran
SMILESCCCCOC1CCCc2oc(-c3ccccc3)cc21
InChIInChI=1S/C18H22O2/c1-2-3-12-19-16-10-7-11-17-15(16)13-18(20-17)14-8-5-4-6-9-14/h4-6,8-9,13,16H,2-3,7,10-12H2,1H3
InChIKeyZIYWABYFWULIEP-UHFFFAOYSA-N
MW270.37 g/mol
LogP5.14
Rot. Bonds5

About 4-butoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran

4-butoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran (PubChem CID 11346272) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-butoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran.

Molecular Properties

Compound Name4-butoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran
PubChem CID11346272
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name4-butoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran
SMILESCCCCOC1CCCc2oc(-c3ccccc3)cc21
InChIInChI=1S/C18H22O2/c1-2-3-12-19-16-10-7-11-17-15(16)13-18(20-17)14-8-5-4-6-9-14/h4-6,8-9,13,16H,2-3,7,10-12H2,1H3
InChIKeyZIYWABYFWULIEP-UHFFFAOYSA-N
XLogP5.14
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.37
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran?
The IUPAC name of 4-butoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran (CID 11346272) is 4-butoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran.
What is the SMILES notation for 4-butoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran?
The canonical SMILES for 4-butoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran is CCCCOC1CCCc2oc(-c3ccccc3)cc21.
What is the InChIKey of 4-butoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran?
The InChIKey is ZIYWABYFWULIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-2-3-12-19-16-10-7-11-17-15(16)13-18(20-17)14-8-5-4-6-9-14/h4-6,8-9,13,16H,2-3,7,10-12H2,1H3.
What are the key properties of 4-butoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran?
4-butoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran has a molecular weight of 270.37 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran is sourced from PubChem (CID 11346272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).