2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)furan

C21H18O — CID 160599375

IUPAC2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)furan
SMILESCc1cc2c(c(-c3ccccc3)c1C)C=C(c1ccco1)C2
InChIInChI=1S/C21H18O/c1-14-11-17-12-18(20-9-6-10-22-20)13-19(17)21(15(14)2)16-7-4-3-5-8-16/h3-11,13H,12H2,1-2H3
InChIKeyVURNBMSVBGYUCK-UHFFFAOYSA-N
MW286.37 g/mol
LogP5.66
Rot. Bonds2

About 2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)furan

2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)furan (PubChem CID 160599375) has the molecular formula C21H18O and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)furan.

Molecular Properties

Compound Name2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)furan
PubChem CID160599375
Molecular FormulaC21H18O
Molecular Weight286.37 g/mol
Exact Mass286.14
IUPAC Name2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)furan
SMILESCc1cc2c(c(-c3ccccc3)c1C)C=C(c1ccco1)C2
InChIInChI=1S/C21H18O/c1-14-11-17-12-18(20-9-6-10-22-20)13-19(17)21(15(14)2)16-7-4-3-5-8-16/h3-11,13H,12H2,1-2H3
InChIKeyVURNBMSVBGYUCK-UHFFFAOYSA-N
XLogP5.66
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.37
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)furan?
The IUPAC name of 2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)furan (CID 160599375) is 2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)furan.
What is the SMILES notation for 2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)furan?
The canonical SMILES for 2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)furan is Cc1cc2c(c(-c3ccccc3)c1C)C=C(c1ccco1)C2.
What is the InChIKey of 2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)furan?
The InChIKey is VURNBMSVBGYUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O/c1-14-11-17-12-18(20-9-6-10-22-20)13-19(17)21(15(14)2)16-7-4-3-5-8-16/h3-11,13H,12H2,1-2H3.
What are the key properties of 2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)furan?
2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)furan has a molecular weight of 286.37 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)furan is sourced from PubChem (CID 160599375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).