2-[4-(4-ethylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran

C23H22O — CID 87358530

IUPAC2-[4-(4-ethylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran
SMILESCCc1ccc(-c2c(C)ccc3c2C=C(c2ccc(C)o2)C3)cc1
InChIInChI=1S/C23H22O/c1-4-17-7-10-18(11-8-17)23-15(2)5-9-19-13-20(14-21(19)23)22-12-6-16(3)24-22/h5-12,14H,4,13H2,1-3H3
InChIKeySIZUQUWMYJASMK-UHFFFAOYSA-N
MW314.43 g/mol
LogP6.22
Rot. Bonds3

About 2-[4-(4-ethylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran

2-[4-(4-ethylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran (PubChem CID 87358530) has the molecular formula C23H22O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran
PubChem CID87358530
Molecular FormulaC23H22O
Molecular Weight314.43 g/mol
Exact Mass314.17
IUPAC Name2-[4-(4-ethylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran
SMILESCCc1ccc(-c2c(C)ccc3c2C=C(c2ccc(C)o2)C3)cc1
InChIInChI=1S/C23H22O/c1-4-17-7-10-18(11-8-17)23-15(2)5-9-19-13-20(14-21(19)23)22-12-6-16(3)24-22/h5-12,14H,4,13H2,1-3H3
InChIKeySIZUQUWMYJASMK-UHFFFAOYSA-N
XLogP6.22
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran?
The IUPAC name of 2-[4-(4-ethylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran (CID 87358530) is 2-[4-(4-ethylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran.
What is the SMILES notation for 2-[4-(4-ethylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran?
The canonical SMILES for 2-[4-(4-ethylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran is CCc1ccc(-c2c(C)ccc3c2C=C(c2ccc(C)o2)C3)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran?
The InChIKey is SIZUQUWMYJASMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O/c1-4-17-7-10-18(11-8-17)23-15(2)5-9-19-13-20(14-21(19)23)22-12-6-16(3)24-22/h5-12,14H,4,13H2,1-3H3.
What are the key properties of 2-[4-(4-ethylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran?
2-[4-(4-ethylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran has a molecular weight of 314.43 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran is sourced from PubChem (CID 87358530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).