3-methyl-2-(3-propyl-1H-inden-2-yl)furan

C17H18O — CID 173084813

IUPAC3-methyl-2-(3-propyl-1H-inden-2-yl)furan
SMILESCCCC1=C(c2occc2C)Cc2ccccc21
InChIInChI=1S/C17H18O/c1-3-6-15-14-8-5-4-7-13(14)11-16(15)17-12(2)9-10-18-17/h4-5,7-10H,3,6,11H2,1-2H3
InChIKeyQXNQDYJFELPDCJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.86
Rot. Bonds3

About 3-methyl-2-(3-propyl-1H-inden-2-yl)furan

3-methyl-2-(3-propyl-1H-inden-2-yl)furan (PubChem CID 173084813) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-methyl-2-(3-propyl-1H-inden-2-yl)furan.

Molecular Properties

Compound Name3-methyl-2-(3-propyl-1H-inden-2-yl)furan
PubChem CID173084813
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name3-methyl-2-(3-propyl-1H-inden-2-yl)furan
SMILESCCCC1=C(c2occc2C)Cc2ccccc21
InChIInChI=1S/C17H18O/c1-3-6-15-14-8-5-4-7-13(14)11-16(15)17-12(2)9-10-18-17/h4-5,7-10H,3,6,11H2,1-2H3
InChIKeyQXNQDYJFELPDCJ-UHFFFAOYSA-N
XLogP4.86
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-propyl-1H-inden-2-yl)furan?
The IUPAC name of 3-methyl-2-(3-propyl-1H-inden-2-yl)furan (CID 173084813) is 3-methyl-2-(3-propyl-1H-inden-2-yl)furan.
What is the SMILES notation for 3-methyl-2-(3-propyl-1H-inden-2-yl)furan?
The canonical SMILES for 3-methyl-2-(3-propyl-1H-inden-2-yl)furan is CCCC1=C(c2occc2C)Cc2ccccc21.
What is the InChIKey of 3-methyl-2-(3-propyl-1H-inden-2-yl)furan?
The InChIKey is QXNQDYJFELPDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-3-6-15-14-8-5-4-7-13(14)11-16(15)17-12(2)9-10-18-17/h4-5,7-10H,3,6,11H2,1-2H3.
What are the key properties of 3-methyl-2-(3-propyl-1H-inden-2-yl)furan?
3-methyl-2-(3-propyl-1H-inden-2-yl)furan has a molecular weight of 238.33 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-propyl-1H-inden-2-yl)furan is sourced from PubChem (CID 173084813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).