1H-benzo[c][1]benzofuran

C12H10O — CID 91023391

IUPAC1H-benzo[c][1]benzofuran
SMILESC1=CCC23C=CC=CC2=COC3=C1
InChIInChI=1S/C12H10O/c1-3-7-12-8-4-2-6-11(12)13-9-10(12)5-1/h1-7,9H,8H2
InChIKeyYFWKUVOCVJLJNL-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.86
Rot. Bonds

About 1H-benzo[c][1]benzofuran

1H-benzo[c][1]benzofuran (PubChem CID 91023391) has the molecular formula C12H10O and a molecular weight of 170.21 g/mol. Its IUPAC name is 1H-benzo[c][1]benzofuran.

Molecular Properties

Compound Name1H-benzo[c][1]benzofuran
PubChem CID91023391
Molecular FormulaC12H10O
Molecular Weight170.21 g/mol
Exact Mass170.07
IUPAC Name1H-benzo[c][1]benzofuran
SMILESC1=CCC23C=CC=CC2=COC3=C1
InChIInChI=1S/C12H10O/c1-3-7-12-8-4-2-6-11(12)13-9-10(12)5-1/h1-7,9H,8H2
InChIKeyYFWKUVOCVJLJNL-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-benzo[c][1]benzofuran?
The IUPAC name of 1H-benzo[c][1]benzofuran (CID 91023391) is 1H-benzo[c][1]benzofuran.
What is the SMILES notation for 1H-benzo[c][1]benzofuran?
The canonical SMILES for 1H-benzo[c][1]benzofuran is C1=CCC23C=CC=CC2=COC3=C1.
What is the InChIKey of 1H-benzo[c][1]benzofuran?
The InChIKey is YFWKUVOCVJLJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O/c1-3-7-12-8-4-2-6-11(12)13-9-10(12)5-1/h1-7,9H,8H2.
What are the key properties of 1H-benzo[c][1]benzofuran?
1H-benzo[c][1]benzofuran has a molecular weight of 170.21 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzo[c][1]benzofuran is sourced from PubChem (CID 91023391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).