anthracene;furan

C18H14O — CID 146190380

IUPACanthracene;furan
SMILESc1ccc2cc3ccccc3cc2c1.c1ccoc1
InChIInChI=1S/C14H10.C4H4O/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-4-5-3-1/h1-10H;1-4H
InChIKeyGBGSMFSPTNKMIT-UHFFFAOYSA-N
MW246.31 g/mol
LogP5.27
Rot. Bonds

About anthracene;furan

anthracene;furan (PubChem CID 146190380) has the molecular formula C18H14O and a molecular weight of 246.31 g/mol. Its IUPAC name is anthracene;furan.

Molecular Properties

Compound Nameanthracene;furan
PubChem CID146190380
Molecular FormulaC18H14O
Molecular Weight246.31 g/mol
Exact Mass246.10
IUPAC Nameanthracene;furan
SMILESc1ccc2cc3ccccc3cc2c1.c1ccoc1
InChIInChI=1S/C14H10.C4H4O/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-4-5-3-1/h1-10H;1-4H
InChIKeyGBGSMFSPTNKMIT-UHFFFAOYSA-N
XLogP5.27
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.31
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anthracene;furan?
The IUPAC name of anthracene;furan (CID 146190380) is anthracene;furan.
What is the SMILES notation for anthracene;furan?
The canonical SMILES for anthracene;furan is c1ccc2cc3ccccc3cc2c1.c1ccoc1.
What is the InChIKey of anthracene;furan?
The InChIKey is GBGSMFSPTNKMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C4H4O/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-4-5-3-1/h1-10H;1-4H.
What are the key properties of anthracene;furan?
anthracene;furan has a molecular weight of 246.31 g/mol, XLogP of 5.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;furan is sourced from PubChem (CID 146190380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).