3-benzyl-2-pentyl-1-benzofuran

C20H22O — CID 101375097

IUPAC3-benzyl-2-pentyl-1-benzofuran
SMILESCCCCCc1oc2ccccc2c1Cc1ccccc1
InChIInChI=1S/C20H22O/c1-2-3-5-13-20-18(15-16-10-6-4-7-11-16)17-12-8-9-14-19(17)21-20/h4,6-12,14H,2-3,5,13,15H2,1H3
InChIKeyGIOCCAAHXPJUAY-UHFFFAOYSA-N
MW278.39 g/mol
LogP5.76
Rot. Bonds6

About 3-benzyl-2-pentyl-1-benzofuran

3-benzyl-2-pentyl-1-benzofuran (PubChem CID 101375097) has the molecular formula C20H22O and a molecular weight of 278.39 g/mol. Its IUPAC name is 3-benzyl-2-pentyl-1-benzofuran.

Molecular Properties

Compound Name3-benzyl-2-pentyl-1-benzofuran
PubChem CID101375097
Molecular FormulaC20H22O
Molecular Weight278.39 g/mol
Exact Mass278.17
IUPAC Name3-benzyl-2-pentyl-1-benzofuran
SMILESCCCCCc1oc2ccccc2c1Cc1ccccc1
InChIInChI=1S/C20H22O/c1-2-3-5-13-20-18(15-16-10-6-4-7-11-16)17-12-8-9-14-19(17)21-20/h4,6-12,14H,2-3,5,13,15H2,1H3
InChIKeyGIOCCAAHXPJUAY-UHFFFAOYSA-N
XLogP5.76
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.39
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-benzyl-2-pentyl-1-benzofuran?
The IUPAC name of 3-benzyl-2-pentyl-1-benzofuran (CID 101375097) is 3-benzyl-2-pentyl-1-benzofuran.
What is the SMILES notation for 3-benzyl-2-pentyl-1-benzofuran?
The canonical SMILES for 3-benzyl-2-pentyl-1-benzofuran is CCCCCc1oc2ccccc2c1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-pentyl-1-benzofuran?
The InChIKey is GIOCCAAHXPJUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c1-2-3-5-13-20-18(15-16-10-6-4-7-11-16)17-12-8-9-14-19(17)21-20/h4,6-12,14H,2-3,5,13,15H2,1H3.
What are the key properties of 3-benzyl-2-pentyl-1-benzofuran?
3-benzyl-2-pentyl-1-benzofuran has a molecular weight of 278.39 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-pentyl-1-benzofuran is sourced from PubChem (CID 101375097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).