2-methyl-5-[5-methyl-4-(4-methylphenyl)-1H-inden-2-yl]furan

C22H20O — CID 87358615

IUPAC2-methyl-5-[5-methyl-4-(4-methylphenyl)-1H-inden-2-yl]furan
SMILESCc1ccc(-c2c(C)ccc3c2C=C(c2ccc(C)o2)C3)cc1
InChIInChI=1S/C22H20O/c1-14-4-8-17(9-5-14)22-15(2)6-10-18-12-19(13-20(18)22)21-11-7-16(3)23-21/h4-11,13H,12H2,1-3H3
InChIKeyVHUIFHGNBSDEGZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP5.97
Rot. Bonds2

About 2-methyl-5-[5-methyl-4-(4-methylphenyl)-1H-inden-2-yl]furan

2-methyl-5-[5-methyl-4-(4-methylphenyl)-1H-inden-2-yl]furan (PubChem CID 87358615) has the molecular formula C22H20O and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-methyl-5-[5-methyl-4-(4-methylphenyl)-1H-inden-2-yl]furan.

Molecular Properties

Compound Name2-methyl-5-[5-methyl-4-(4-methylphenyl)-1H-inden-2-yl]furan
PubChem CID87358615
Molecular FormulaC22H20O
Molecular Weight300.40 g/mol
Exact Mass300.15
IUPAC Name2-methyl-5-[5-methyl-4-(4-methylphenyl)-1H-inden-2-yl]furan
SMILESCc1ccc(-c2c(C)ccc3c2C=C(c2ccc(C)o2)C3)cc1
InChIInChI=1S/C22H20O/c1-14-4-8-17(9-5-14)22-15(2)6-10-18-12-19(13-20(18)22)21-11-7-16(3)23-21/h4-11,13H,12H2,1-3H3
InChIKeyVHUIFHGNBSDEGZ-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-methyl-4-(4-methylphenyl)-1H-inden-2-yl]furan?
The IUPAC name of 2-methyl-5-[5-methyl-4-(4-methylphenyl)-1H-inden-2-yl]furan (CID 87358615) is 2-methyl-5-[5-methyl-4-(4-methylphenyl)-1H-inden-2-yl]furan.
What is the SMILES notation for 2-methyl-5-[5-methyl-4-(4-methylphenyl)-1H-inden-2-yl]furan?
The canonical SMILES for 2-methyl-5-[5-methyl-4-(4-methylphenyl)-1H-inden-2-yl]furan is Cc1ccc(-c2c(C)ccc3c2C=C(c2ccc(C)o2)C3)cc1.
What is the InChIKey of 2-methyl-5-[5-methyl-4-(4-methylphenyl)-1H-inden-2-yl]furan?
The InChIKey is VHUIFHGNBSDEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O/c1-14-4-8-17(9-5-14)22-15(2)6-10-18-12-19(13-20(18)22)21-11-7-16(3)23-21/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-methyl-5-[5-methyl-4-(4-methylphenyl)-1H-inden-2-yl]furan?
2-methyl-5-[5-methyl-4-(4-methylphenyl)-1H-inden-2-yl]furan 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-methyl-5-[5-methyl-4-(4-methylphenyl)-1H-inden-2-yl]furan is sourced from PubChem (CID 87358615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).