2-[4-(2-ethylphenyl)-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran

C24H24O — CID 140688763

IUPAC2-[4-(2-ethylphenyl)-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran
SMILESCCc1ccccc1-c1c(C)c(C)cc2c1C=C(c1ccc(C)o1)C2
InChIInChI=1S/C24H24O/c1-5-18-8-6-7-9-21(18)24-17(4)15(2)12-19-13-20(14-22(19)24)23-11-10-16(3)25-23/h6-12,14H,5,13H2,1-4H3
InChIKeyNGRGGQYYJAGPPC-UHFFFAOYSA-N
MW328.46 g/mol
LogP6.53
Rot. Bonds3

About 2-[4-(2-ethylphenyl)-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran

2-[4-(2-ethylphenyl)-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran (PubChem CID 140688763) has the molecular formula C24H24O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[4-(2-ethylphenyl)-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran.

Molecular Properties

Compound Name2-[4-(2-ethylphenyl)-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran
PubChem CID140688763
Molecular FormulaC24H24O
Molecular Weight328.46 g/mol
Exact Mass328.18
IUPAC Name2-[4-(2-ethylphenyl)-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran
SMILESCCc1ccccc1-c1c(C)c(C)cc2c1C=C(c1ccc(C)o1)C2
InChIInChI=1S/C24H24O/c1-5-18-8-6-7-9-21(18)24-17(4)15(2)12-19-13-20(14-22(19)24)23-11-10-16(3)25-23/h6-12,14H,5,13H2,1-4H3
InChIKeyNGRGGQYYJAGPPC-UHFFFAOYSA-N
XLogP6.53
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethylphenyl)-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran?
The IUPAC name of 2-[4-(2-ethylphenyl)-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran (CID 140688763) is 2-[4-(2-ethylphenyl)-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran.
What is the SMILES notation for 2-[4-(2-ethylphenyl)-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran?
The canonical SMILES for 2-[4-(2-ethylphenyl)-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran is CCc1ccccc1-c1c(C)c(C)cc2c1C=C(c1ccc(C)o1)C2.
What is the InChIKey of 2-[4-(2-ethylphenyl)-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran?
The InChIKey is NGRGGQYYJAGPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O/c1-5-18-8-6-7-9-21(18)24-17(4)15(2)12-19-13-20(14-22(19)24)23-11-10-16(3)25-23/h6-12,14H,5,13H2,1-4H3.
What are the key properties of 2-[4-(2-ethylphenyl)-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran?
2-[4-(2-ethylphenyl)-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran has a molecular weight of 328.46 g/mol, XLogP of 6.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethylphenyl)-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran is sourced from PubChem (CID 140688763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).