1,3-dihydronaphtho[2,3-e][2]benzofuran

C16H12O — CID 20823231

IUPAC1,3-dihydronaphtho[2,3-e][2]benzofuran
SMILESc1ccc2cc3c4c(ccc3cc2c1)COC4
InChIInChI=1S/C16H12O/c1-2-4-12-8-15-13(7-11(12)3-1)5-6-14-9-17-10-16(14)15/h1-8H,9-10H2
InChIKeyUUFBYELBQFCTRS-UHFFFAOYSA-N
MW220.27 g/mol
LogP4.02
Rot. Bonds

About 1,3-dihydronaphtho[2,3-e][2]benzofuran

1,3-dihydronaphtho[2,3-e][2]benzofuran (PubChem CID 20823231) has the molecular formula C16H12O and a molecular weight of 220.27 g/mol. Its IUPAC name is 1,3-dihydronaphtho[2,3-e][2]benzofuran.

Molecular Properties

Compound Name1,3-dihydronaphtho[2,3-e][2]benzofuran
PubChem CID20823231
Molecular FormulaC16H12O
Molecular Weight220.27 g/mol
Exact Mass220.09
IUPAC Name1,3-dihydronaphtho[2,3-e][2]benzofuran
SMILESc1ccc2cc3c4c(ccc3cc2c1)COC4
InChIInChI=1S/C16H12O/c1-2-4-12-8-15-13(7-11(12)3-1)5-6-14-9-17-10-16(14)15/h1-8H,9-10H2
InChIKeyUUFBYELBQFCTRS-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 54.02
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 1,3-dihydronaphtho[2,3-e][2]benzofuran?
The IUPAC name of 1,3-dihydronaphtho[2,3-e][2]benzofuran (CID 20823231) is 1,3-dihydronaphtho[2,3-e][2]benzofuran.
What is the SMILES notation for 1,3-dihydronaphtho[2,3-e][2]benzofuran?
The canonical SMILES for 1,3-dihydronaphtho[2,3-e][2]benzofuran is c1ccc2cc3c4c(ccc3cc2c1)COC4.
What is the InChIKey of 1,3-dihydronaphtho[2,3-e][2]benzofuran?
The InChIKey is UUFBYELBQFCTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O/c1-2-4-12-8-15-13(7-11(12)3-1)5-6-14-9-17-10-16(14)15/h1-8H,9-10H2.
What are the key properties of 1,3-dihydronaphtho[2,3-e][2]benzofuran?
1,3-dihydronaphtho[2,3-e][2]benzofuran has a molecular weight of 220.27 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydronaphtho[2,3-e][2]benzofuran is sourced from PubChem (CID 20823231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).