4-butylanthra[2,1-b][1]benzofuran

C24H20O — CID 89117277

IUPAC4-butylanthra[2,1-b][1]benzofuran
SMILESCCCCc1cccc2c1oc1ccc3cc4ccccc4cc3c12
InChIInChI=1S/C24H20O/c1-2-3-7-16-10-6-11-20-23-21-15-18-9-5-4-8-17(18)14-19(21)12-13-22(23)25-24(16)20/h4-6,8-15H,2-3,7H2,1H3
InChIKeyIZUHRXHSWVDRAO-UHFFFAOYSA-N
MW324.42 g/mol
LogP7.24
Rot. Bonds3

About 4-butylanthra[2,1-b][1]benzofuran

4-butylanthra[2,1-b][1]benzofuran (PubChem CID 89117277) has the molecular formula C24H20O and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-butylanthra[2,1-b][1]benzofuran.

Molecular Properties

Compound Name4-butylanthra[2,1-b][1]benzofuran
PubChem CID89117277
Molecular FormulaC24H20O
Molecular Weight324.42 g/mol
Exact Mass324.15
IUPAC Name4-butylanthra[2,1-b][1]benzofuran
SMILESCCCCc1cccc2c1oc1ccc3cc4ccccc4cc3c12
InChIInChI=1S/C24H20O/c1-2-3-7-16-10-6-11-20-23-21-15-18-9-5-4-8-17(18)14-19(21)12-13-22(23)25-24(16)20/h4-6,8-15H,2-3,7H2,1H3
InChIKeyIZUHRXHSWVDRAO-UHFFFAOYSA-N
XLogP7.24
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-butylanthra[2,1-b][1]benzofuran;tris(4-methylanthra[2,1-b][1]benzofuran);4-pentylanthra[2,1-b][1]benzofuran;4-propylanthra[2,1-b][1]benzofuran
CID 159478485
7,8,21,22-tetrabutyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene
CID 118151100
1-dodecylpentacene
CID 141370235
19-octyl-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene
CID 118285693
anthra[2,1-b][1]benzofuran
CID 59403890
lithium;1-hexylanthracene;hydride
CID 174350658
1-butylnaphthalene;ethane
CID 142087052
2-butylbenzo[f]chromen-3-one
CID 162410575
azane;1-butylnaphthalene;methane
CID 174691035
5-butyl-6-hydroxy-9,12-dioxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,14,16,18,20-nonaen-10-one
CID 86103019
dihydroxy(oxo)phosphanium;1-icosylanthracene
CID 87504793
1-hexylbenzo[a]pyrene
CID 139846085

Frequently Asked Questions

What is the IUPAC name of 4-butylanthra[2,1-b][1]benzofuran?
The IUPAC name of 4-butylanthra[2,1-b][1]benzofuran (CID 89117277) is 4-butylanthra[2,1-b][1]benzofuran.
What is the SMILES notation for 4-butylanthra[2,1-b][1]benzofuran?
The canonical SMILES for 4-butylanthra[2,1-b][1]benzofuran is CCCCc1cccc2c1oc1ccc3cc4ccccc4cc3c12.
What is the InChIKey of 4-butylanthra[2,1-b][1]benzofuran?
The InChIKey is IZUHRXHSWVDRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O/c1-2-3-7-16-10-6-11-20-23-21-15-18-9-5-4-8-17(18)14-19(21)12-13-22(23)25-24(16)20/h4-6,8-15H,2-3,7H2,1H3.
What are the key properties of 4-butylanthra[2,1-b][1]benzofuran?
4-butylanthra[2,1-b][1]benzofuran has a molecular weight of 324.42 g/mol, XLogP of 7.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylanthra[2,1-b][1]benzofuran is sourced from PubChem (CID 89117277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).