2-(3-phenylpropyl)furan

C13H14O — CID 529780

IUPAC2-(3-phenylpropyl)furan
SMILESc1ccc(CCCc2ccco2)cc1
InChIInChI=1S/C13H14O/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,5-7,10-11H,4,8-9H2
InChIKeyHWYJSJWNOAJXLT-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.45
Rot. Bonds4

About 2-(3-phenylpropyl)furan

2-(3-phenylpropyl)furan (PubChem CID 529780) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(3-phenylpropyl)furan.

Molecular Properties

Compound Name2-(3-phenylpropyl)furan
PubChem CID529780
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name2-(3-phenylpropyl)furan
SMILESc1ccc(CCCc2ccco2)cc1
InChIInChI=1S/C13H14O/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,5-7,10-11H,4,8-9H2
InChIKeyHWYJSJWNOAJXLT-UHFFFAOYSA-N
XLogP3.45
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)furan?
The IUPAC name of 2-(3-phenylpropyl)furan (CID 529780) is 2-(3-phenylpropyl)furan.
What is the SMILES notation for 2-(3-phenylpropyl)furan?
The canonical SMILES for 2-(3-phenylpropyl)furan is c1ccc(CCCc2ccco2)cc1.
What is the InChIKey of 2-(3-phenylpropyl)furan?
The InChIKey is HWYJSJWNOAJXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,5-7,10-11H,4,8-9H2.
What are the key properties of 2-(3-phenylpropyl)furan?
2-(3-phenylpropyl)furan has a molecular weight of 186.25 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)furan is sourced from PubChem (CID 529780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).