5'-methoxy-1-methylspiro[1,2-dihydroindene-3,3'-1-benzofuran]-2'-one

C18H16O3 — CID 10378916

IUPAC5'-methoxy-1-methylspiro[1,2-dihydroindene-3,3'-1-benzofuran]-2'-one
SMILESCOc1ccc2c(c1)C1(CC(C)c3ccccc31)C(=O)O2
InChIInChI=1S/C18H16O3/c1-11-10-18(14-6-4-3-5-13(11)14)15-9-12(20-2)7-8-16(15)21-17(18)19/h3-9,11H,10H2,1-2H3
InChIKeyGOWNABBGKSIXRG-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.41
Rot. Bonds1

About 5'-methoxy-1-methylspiro[1,2-dihydroindene-3,3'-1-benzofuran]-2'-one

5'-methoxy-1-methylspiro[1,2-dihydroindene-3,3'-1-benzofuran]-2'-one (PubChem CID 10378916) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 5'-methoxy-1-methylspiro[1,2-dihydroindene-3,3'-1-benzofuran]-2'-one.

Molecular Properties

Compound Name5'-methoxy-1-methylspiro[1,2-dihydroindene-3,3'-1-benzofuran]-2'-one
PubChem CID10378916
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name5'-methoxy-1-methylspiro[1,2-dihydroindene-3,3'-1-benzofuran]-2'-one
SMILESCOc1ccc2c(c1)C1(CC(C)c3ccccc31)C(=O)O2
InChIInChI=1S/C18H16O3/c1-11-10-18(14-6-4-3-5-13(11)14)15-9-12(20-2)7-8-16(15)21-17(18)19/h3-9,11H,10H2,1-2H3
InChIKeyGOWNABBGKSIXRG-UHFFFAOYSA-N
XLogP3.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5'-methoxy-1-methylspiro[1,2-dihydroindene-3,3'-1-benzofuran]-2'-one 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 5'-methoxy-1-methylspiro[1,2-dihydroindene-3,3'-1-benzofuran]-2'-one?
The IUPAC name of 5'-methoxy-1-methylspiro[1,2-dihydroindene-3,3'-1-benzofuran]-2'-one (CID 10378916) is 5'-methoxy-1-methylspiro[1,2-dihydroindene-3,3'-1-benzofuran]-2'-one.
What is the SMILES notation for 5'-methoxy-1-methylspiro[1,2-dihydroindene-3,3'-1-benzofuran]-2'-one?
The canonical SMILES for 5'-methoxy-1-methylspiro[1,2-dihydroindene-3,3'-1-benzofuran]-2'-one is COc1ccc2c(c1)C1(CC(C)c3ccccc31)C(=O)O2.
What is the InChIKey of 5'-methoxy-1-methylspiro[1,2-dihydroindene-3,3'-1-benzofuran]-2'-one?
The InChIKey is GOWNABBGKSIXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-11-10-18(14-6-4-3-5-13(11)14)15-9-12(20-2)7-8-16(15)21-17(18)19/h3-9,11H,10H2,1-2H3.
What are the key properties of 5'-methoxy-1-methylspiro[1,2-dihydroindene-3,3'-1-benzofuran]-2'-one?
5'-methoxy-1-methylspiro[1,2-dihydroindene-3,3'-1-benzofuran]-2'-one has a molecular weight of 280.32 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methoxy-1-methylspiro[1,2-dihydroindene-3,3'-1-benzofuran]-2'-one is sourced from PubChem (CID 10378916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).