3-[5-(1-benzofuran-5-yl)hexan-2-yl]-2H-chromene

C23H24O2 — CID 166752674

IUPAC3-[5-(1-benzofuran-5-yl)hexan-2-yl]-2H-chromene
SMILESCC(CCC(C)c1ccc2occc2c1)C1=Cc2ccccc2OC1
InChIInChI=1S/C23H24O2/c1-16(18-9-10-23-20(13-18)11-12-24-23)7-8-17(2)21-14-19-5-3-4-6-22(19)25-15-21/h3-6,9-14,16-17H,7-8,15H2,1-2H3
InChIKeyGNDDLEGSPFXNSE-UHFFFAOYSA-N
MW332.44 g/mol
LogP6.43
Rot. Bonds5

About 3-[5-(1-benzofuran-5-yl)hexan-2-yl]-2H-chromene

3-[5-(1-benzofuran-5-yl)hexan-2-yl]-2H-chromene (PubChem CID 166752674) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is 3-[5-(1-benzofuran-5-yl)hexan-2-yl]-2H-chromene.

Molecular Properties

Compound Name3-[5-(1-benzofuran-5-yl)hexan-2-yl]-2H-chromene
PubChem CID166752674
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Name3-[5-(1-benzofuran-5-yl)hexan-2-yl]-2H-chromene
SMILESCC(CCC(C)c1ccc2occc2c1)C1=Cc2ccccc2OC1
InChIInChI=1S/C23H24O2/c1-16(18-9-10-23-20(13-18)11-12-24-23)7-8-17(2)21-14-19-5-3-4-6-22(19)25-15-21/h3-6,9-14,16-17H,7-8,15H2,1-2H3
InChIKeyGNDDLEGSPFXNSE-UHFFFAOYSA-N
XLogP6.43
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-benzofuran-5-yl)hexan-2-yl]-2H-chromene?
The IUPAC name of 3-[5-(1-benzofuran-5-yl)hexan-2-yl]-2H-chromene (CID 166752674) is 3-[5-(1-benzofuran-5-yl)hexan-2-yl]-2H-chromene.
What is the SMILES notation for 3-[5-(1-benzofuran-5-yl)hexan-2-yl]-2H-chromene?
The canonical SMILES for 3-[5-(1-benzofuran-5-yl)hexan-2-yl]-2H-chromene is CC(CCC(C)c1ccc2occc2c1)C1=Cc2ccccc2OC1.
What is the InChIKey of 3-[5-(1-benzofuran-5-yl)hexan-2-yl]-2H-chromene?
The InChIKey is GNDDLEGSPFXNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2/c1-16(18-9-10-23-20(13-18)11-12-24-23)7-8-17(2)21-14-19-5-3-4-6-22(19)25-15-21/h3-6,9-14,16-17H,7-8,15H2,1-2H3.
What are the key properties of 3-[5-(1-benzofuran-5-yl)hexan-2-yl]-2H-chromene?
3-[5-(1-benzofuran-5-yl)hexan-2-yl]-2H-chromene has a molecular weight of 332.44 g/mol, XLogP of 6.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-benzofuran-5-yl)hexan-2-yl]-2H-chromene is sourced from PubChem (CID 166752674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).