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

C22H20O — CID 90153293

IUPAC2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)-5-methylfuran
SMILESCc1ccc(C2=Cc3c(cc(C)c(C)c3-c3ccccc3)C2)o1
InChIInChI=1S/C22H20O/c1-14-11-18-12-19(21-10-9-15(2)23-21)13-20(18)22(16(14)3)17-7-5-4-6-8-17/h4-11,13H,12H2,1-3H3
InChIKeyURWZBWUDNCDPAT-UHFFFAOYSA-N
MW300.40 g/mol
LogP5.97
Rot. Bonds2

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

2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)-5-methylfuran (PubChem CID 90153293) has the molecular formula C22H20O and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)-5-methylfuran.

Molecular Properties

Compound Name2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)-5-methylfuran
PubChem CID90153293
Molecular FormulaC22H20O
Molecular Weight300.40 g/mol
Exact Mass300.15
IUPAC Name2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)-5-methylfuran
SMILESCc1ccc(C2=Cc3c(cc(C)c(C)c3-c3ccccc3)C2)o1
InChIInChI=1S/C22H20O/c1-14-11-18-12-19(21-10-9-15(2)23-21)13-20(18)22(16(14)3)17-7-5-4-6-8-17/h4-11,13H,12H2,1-3H3
InChIKeyURWZBWUDNCDPAT-UHFFFAOYSA-N
XLogP5.97
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dibenzofuran
CID 568
2,3-Dimethylbenzofuran
CID 2734646
2,5-Diphenylfuran
CID 70387
Benzo(b)naphtho(2,3-d)furan
CID 71072
Benzofurans
CID 253613
2-Phenyl-benzofuran
CID 3517936
Dibenzofuran, 4-methyl-
CID 43489
4,7-Dimethylbenzofuran
CID 33109
3-(Furan-2-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 270482
5-Methyl-2-phenyl-1-benzofuran
CID 1211950
1,3-Diphenylisobenzofuran
CID 21649
Tetraphenylfuran
CID 223858

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)-5-methylfuran?
The IUPAC name of 2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)-5-methylfuran (CID 90153293) is 2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)-5-methylfuran.
What is the SMILES notation for 2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)-5-methylfuran?
The canonical SMILES for 2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)-5-methylfuran is Cc1ccc(C2=Cc3c(cc(C)c(C)c3-c3ccccc3)C2)o1.
What is the InChIKey of 2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)-5-methylfuran?
The InChIKey is URWZBWUDNCDPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O/c1-14-11-18-12-19(21-10-9-15(2)23-21)13-20(18)22(16(14)3)17-7-5-4-6-8-17/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)-5-methylfuran?
2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)-5-methylfuran has a molecular weight of 300.40 g/mol, XLogP of 5.97, 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)-5-methylfuran is sourced from PubChem (CID 90153293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).