2-phenanthren-1-ylfuran

C18H12O — CID 142748745

IUPAC2-phenanthren-1-ylfuran
SMILESc1coc(-c2cccc3c2ccc2ccccc23)c1
InChIInChI=1S/C18H12O/c1-2-6-14-13(5-1)10-11-16-15(14)7-3-8-17(16)18-9-4-12-19-18/h1-12H
InChIKeyAEDXAQYDOGQXIK-UHFFFAOYSA-N
MW244.29 g/mol
LogP5.25
Rot. Bonds1

About 2-phenanthren-1-ylfuran

2-phenanthren-1-ylfuran (PubChem CID 142748745) has the molecular formula C18H12O and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-phenanthren-1-ylfuran.

Molecular Properties

Compound Name2-phenanthren-1-ylfuran
PubChem CID142748745
Molecular FormulaC18H12O
Molecular Weight244.29 g/mol
Exact Mass244.09
IUPAC Name2-phenanthren-1-ylfuran
SMILESc1coc(-c2cccc3c2ccc2ccccc23)c1
InChIInChI=1S/C18H12O/c1-2-6-14-13(5-1)10-11-16-15(14)7-3-8-17(16)18-9-4-12-19-18/h1-12H
InChIKeyAEDXAQYDOGQXIK-UHFFFAOYSA-N
XLogP5.25
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.29
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-1-ylfuran?
The IUPAC name of 2-phenanthren-1-ylfuran (CID 142748745) is 2-phenanthren-1-ylfuran.
What is the SMILES notation for 2-phenanthren-1-ylfuran?
The canonical SMILES for 2-phenanthren-1-ylfuran is c1coc(-c2cccc3c2ccc2ccccc23)c1.
What is the InChIKey of 2-phenanthren-1-ylfuran?
The InChIKey is AEDXAQYDOGQXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O/c1-2-6-14-13(5-1)10-11-16-15(14)7-3-8-17(16)18-9-4-12-19-18/h1-12H.
What are the key properties of 2-phenanthren-1-ylfuran?
2-phenanthren-1-ylfuran has a molecular weight of 244.29 g/mol, XLogP of 5.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-1-ylfuran is sourced from PubChem (CID 142748745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).