chrysene;furan

C22H16O — CID 175516066

IUPACchrysene;furan
SMILESc1ccc2c(c1)ccc1c3ccccc3ccc21.c1ccoc1
InChIInChI=1S/C18H12.C4H4O/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-4-5-3-1/h1-12H;1-4H
InChIKeySCFQAQLJSWLEKJ-UHFFFAOYSA-N
MW296.37 g/mol
LogP6.43
Rot. Bonds

About chrysene;furan

chrysene;furan (PubChem CID 175516066) has the molecular formula C22H16O and a molecular weight of 296.37 g/mol. Its IUPAC name is chrysene;furan.

Molecular Properties

Compound Namechrysene;furan
PubChem CID175516066
Molecular FormulaC22H16O
Molecular Weight296.37 g/mol
Exact Mass296.12
IUPAC Namechrysene;furan
SMILESc1ccc2c(c1)ccc1c3ccccc3ccc21.c1ccoc1
InChIInChI=1S/C18H12.C4H4O/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-4-5-3-1/h1-12H;1-4H
InChIKeySCFQAQLJSWLEKJ-UHFFFAOYSA-N
XLogP6.43
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 56.43
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 chrysene;furan?
The IUPAC name of chrysene;furan (CID 175516066) is chrysene;furan.
What is the SMILES notation for chrysene;furan?
The canonical SMILES for chrysene;furan is c1ccc2c(c1)ccc1c3ccccc3ccc21.c1ccoc1.
What is the InChIKey of chrysene;furan?
The InChIKey is SCFQAQLJSWLEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12.C4H4O/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-4-5-3-1/h1-12H;1-4H.
What are the key properties of chrysene;furan?
chrysene;furan has a molecular weight of 296.37 g/mol, XLogP of 6.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chrysene;furan is sourced from PubChem (CID 175516066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).