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

CID 175184222
CID 175184222
[4-[5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-4-yl]phenyl]methanamine
CID 160654941
2-[4-(4-tert-butylphenyl)-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran;dichlorozirconium
CID 174822797
2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)furan
CID 160599375
2-[4-(2-ethylphenyl)-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran
CID 140688763
2-methyl-5-[5-methyl-4-(4-methylphenyl)-1H-inden-2-yl]furan
CID 87358615
2-methyl-5-[4-(4-propan-2-ylphenyl)-1,5,6,7-tetrahydro-s-indacen-2-yl]furan
CID 175335786
2-[4-(4-ethylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran
CID 87358530
2-[4-(3,5-dimethoxyphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran
CID 67328453
2-[4-(2-chlorophenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran
CID 87359046
2-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran
CID 67328464
2-(5,6-dimethyl-2-phenyl-1H-inden-4-yl)-1H-azepine
CID 174397371

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).