2-(3-naphthalen-1-ylpropyl)furan

C17H16O — CID 102292642

IUPAC2-(3-naphthalen-1-ylpropyl)furan
SMILESc1coc(CCCc2cccc3ccccc23)c1
InChIInChI=1S/C17H16O/c1-2-12-17-14(6-1)7-3-8-15(17)9-4-10-16-11-5-13-18-16/h1-3,5-8,11-13H,4,9-10H2
InChIKeyOMUSKZQOFHGJPH-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.61
Rot. Bonds4

About 2-(3-naphthalen-1-ylpropyl)furan

2-(3-naphthalen-1-ylpropyl)furan (PubChem CID 102292642) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(3-naphthalen-1-ylpropyl)furan.

Molecular Properties

Compound Name2-(3-naphthalen-1-ylpropyl)furan
PubChem CID102292642
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name2-(3-naphthalen-1-ylpropyl)furan
SMILESc1coc(CCCc2cccc3ccccc23)c1
InChIInChI=1S/C17H16O/c1-2-12-17-14(6-1)7-3-8-15(17)9-4-10-16-11-5-13-18-16/h1-3,5-8,11-13H,4,9-10H2
InChIKeyOMUSKZQOFHGJPH-UHFFFAOYSA-N
XLogP4.61
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-ylpropyl)furan?
The IUPAC name of 2-(3-naphthalen-1-ylpropyl)furan (CID 102292642) is 2-(3-naphthalen-1-ylpropyl)furan.
What is the SMILES notation for 2-(3-naphthalen-1-ylpropyl)furan?
The canonical SMILES for 2-(3-naphthalen-1-ylpropyl)furan is c1coc(CCCc2cccc3ccccc23)c1.
What is the InChIKey of 2-(3-naphthalen-1-ylpropyl)furan?
The InChIKey is OMUSKZQOFHGJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-2-12-17-14(6-1)7-3-8-15(17)9-4-10-16-11-5-13-18-16/h1-3,5-8,11-13H,4,9-10H2.
What are the key properties of 2-(3-naphthalen-1-ylpropyl)furan?
2-(3-naphthalen-1-ylpropyl)furan has a molecular weight of 236.31 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-1-ylpropyl)furan is sourced from PubChem (CID 102292642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).