2-(2-phenylethyl)furan

C12H12O — CID 13069224

IUPAC2-(2-phenylethyl)furan
SMILESc1ccc(CCc2ccco2)cc1
InChIInChI=1S/C12H12O/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-7,10H,8-9H2
InChIKeyPPRMBHRATOCDLN-UHFFFAOYSA-N
MW172.23 g/mol
LogP3.06
Rot. Bonds3

About 2-(2-phenylethyl)furan

2-(2-phenylethyl)furan (PubChem CID 13069224) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(2-phenylethyl)furan.

Molecular Properties

Compound Name2-(2-phenylethyl)furan
PubChem CID13069224
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name2-(2-phenylethyl)furan
SMILESc1ccc(CCc2ccco2)cc1
InChIInChI=1S/C12H12O/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-7,10H,8-9H2
InChIKeyPPRMBHRATOCDLN-UHFFFAOYSA-N
XLogP3.06
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)furan?
The IUPAC name of 2-(2-phenylethyl)furan (CID 13069224) is 2-(2-phenylethyl)furan.
What is the SMILES notation for 2-(2-phenylethyl)furan?
The canonical SMILES for 2-(2-phenylethyl)furan is c1ccc(CCc2ccco2)cc1.
What is the InChIKey of 2-(2-phenylethyl)furan?
The InChIKey is PPRMBHRATOCDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-7,10H,8-9H2.
What are the key properties of 2-(2-phenylethyl)furan?
2-(2-phenylethyl)furan has a molecular weight of 172.23 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)furan is sourced from PubChem (CID 13069224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).