2-(1-methyl-1H-inden-2-yl)-1-benzofuran

C18H14O — CID 21095546

IUPAC2-(1-methyl-1H-inden-2-yl)-1-benzofuran
SMILESCC1C(c2cc3ccccc3o2)=Cc2ccccc21
InChIInChI=1S/C18H14O/c1-12-15-8-4-2-6-13(15)10-16(12)18-11-14-7-3-5-9-17(14)19-18/h2-12H,1H3
InChIKeyQFTIEKFGWQNVFP-UHFFFAOYSA-N
MW246.31 g/mol
LogP5.09
Rot. Bonds1

About 2-(1-methyl-1H-inden-2-yl)-1-benzofuran

2-(1-methyl-1H-inden-2-yl)-1-benzofuran (PubChem CID 21095546) has the molecular formula C18H14O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(1-methyl-1H-inden-2-yl)-1-benzofuran.

Molecular Properties

Compound Name2-(1-methyl-1H-inden-2-yl)-1-benzofuran
PubChem CID21095546
Molecular FormulaC18H14O
Molecular Weight246.31 g/mol
Exact Mass246.10
IUPAC Name2-(1-methyl-1H-inden-2-yl)-1-benzofuran
SMILESCC1C(c2cc3ccccc3o2)=Cc2ccccc21
InChIInChI=1S/C18H14O/c1-12-15-8-4-2-6-13(15)10-16(12)18-11-14-7-3-5-9-17(14)19-18/h2-12H,1H3
InChIKeyQFTIEKFGWQNVFP-UHFFFAOYSA-N
XLogP5.09
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.31
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-1H-inden-2-yl)-1-benzofuran?
The IUPAC name of 2-(1-methyl-1H-inden-2-yl)-1-benzofuran (CID 21095546) is 2-(1-methyl-1H-inden-2-yl)-1-benzofuran.
What is the SMILES notation for 2-(1-methyl-1H-inden-2-yl)-1-benzofuran?
The canonical SMILES for 2-(1-methyl-1H-inden-2-yl)-1-benzofuran is CC1C(c2cc3ccccc3o2)=Cc2ccccc21.
What is the InChIKey of 2-(1-methyl-1H-inden-2-yl)-1-benzofuran?
The InChIKey is QFTIEKFGWQNVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O/c1-12-15-8-4-2-6-13(15)10-16(12)18-11-14-7-3-5-9-17(14)19-18/h2-12H,1H3.
What are the key properties of 2-(1-methyl-1H-inden-2-yl)-1-benzofuran?
2-(1-methyl-1H-inden-2-yl)-1-benzofuran has a molecular weight of 246.31 g/mol, XLogP of 5.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-1H-inden-2-yl)-1-benzofuran is sourced from PubChem (CID 21095546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).