1a-(1,6b-dihydrocyclopropa[b][1]benzofuran-1a-yloxy)-1,6b-dihydrocyclopropa[b][1]benzofuran

C18H14O3 — CID 140621714

IUPAC1a-(1,6b-dihydrocyclopropa[b][1]benzofuran-1a-yloxy)-1,6b-dihydrocyclopropa[b][1]benzofuran
SMILESc1ccc2c(c1)OC1(OC34CC3c3ccccc3O4)CC21
InChIInChI=1S/C18H14O3/c1-3-7-15-11(5-1)13-9-17(13,19-15)21-18-10-14(18)12-6-2-4-8-16(12)20-18/h1-8,13-14H,9-10H2
InChIKeyGMBLTYXRMPQKMB-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.56
Rot. Bonds2

About 1a-(1,6b-dihydrocyclopropa[b][1]benzofuran-1a-yloxy)-1,6b-dihydrocyclopropa[b][1]benzofuran

1a-(1,6b-dihydrocyclopropa[b][1]benzofuran-1a-yloxy)-1,6b-dihydrocyclopropa[b][1]benzofuran (PubChem CID 140621714) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1a-(1,6b-dihydrocyclopropa[b][1]benzofuran-1a-yloxy)-1,6b-dihydrocyclopropa[b][1]benzofuran.

Molecular Properties

Compound Name1a-(1,6b-dihydrocyclopropa[b][1]benzofuran-1a-yloxy)-1,6b-dihydrocyclopropa[b][1]benzofuran
PubChem CID140621714
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name1a-(1,6b-dihydrocyclopropa[b][1]benzofuran-1a-yloxy)-1,6b-dihydrocyclopropa[b][1]benzofuran
SMILESc1ccc2c(c1)OC1(OC34CC3c3ccccc3O4)CC21
InChIInChI=1S/C18H14O3/c1-3-7-15-11(5-1)13-9-17(13,19-15)21-18-10-14(18)12-6-2-4-8-16(12)20-18/h1-8,13-14H,9-10H2
InChIKeyGMBLTYXRMPQKMB-UHFFFAOYSA-N
XLogP3.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1a-(1,6b-dihydrocyclopropa[b][1]benzofuran-1a-yloxy)-1,6b-dihydrocyclopropa[b][1]benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1a-(1,6b-dihydrocyclopropa[b][1]benzofuran-1a-yloxy)-1,6b-dihydrocyclopropa[b][1]benzofuran?
The IUPAC name of 1a-(1,6b-dihydrocyclopropa[b][1]benzofuran-1a-yloxy)-1,6b-dihydrocyclopropa[b][1]benzofuran (CID 140621714) is 1a-(1,6b-dihydrocyclopropa[b][1]benzofuran-1a-yloxy)-1,6b-dihydrocyclopropa[b][1]benzofuran.
What is the SMILES notation for 1a-(1,6b-dihydrocyclopropa[b][1]benzofuran-1a-yloxy)-1,6b-dihydrocyclopropa[b][1]benzofuran?
The canonical SMILES for 1a-(1,6b-dihydrocyclopropa[b][1]benzofuran-1a-yloxy)-1,6b-dihydrocyclopropa[b][1]benzofuran is c1ccc2c(c1)OC1(OC34CC3c3ccccc3O4)CC21.
What is the InChIKey of 1a-(1,6b-dihydrocyclopropa[b][1]benzofuran-1a-yloxy)-1,6b-dihydrocyclopropa[b][1]benzofuran?
The InChIKey is GMBLTYXRMPQKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3/c1-3-7-15-11(5-1)13-9-17(13,19-15)21-18-10-14(18)12-6-2-4-8-16(12)20-18/h1-8,13-14H,9-10H2.
What are the key properties of 1a-(1,6b-dihydrocyclopropa[b][1]benzofuran-1a-yloxy)-1,6b-dihydrocyclopropa[b][1]benzofuran?
1a-(1,6b-dihydrocyclopropa[b][1]benzofuran-1a-yloxy)-1,6b-dihydrocyclopropa[b][1]benzofuran has a molecular weight of 278.31 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1a-(1,6b-dihydrocyclopropa[b][1]benzofuran-1a-yloxy)-1,6b-dihydrocyclopropa[b][1]benzofuran is sourced from PubChem (CID 140621714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).