4-methyl-1-phenylindeno[2,1-b]furan-2-one

C18H12O2 — CID 71416090

IUPAC4-methyl-1-phenylindeno[2,1-b]furan-2-one
SMILESCC1=C2OC(=O)C(c3ccccc3)=C2c2ccccc21
InChIInChI=1S/C18H12O2/c1-11-13-9-5-6-10-14(13)16-15(18(19)20-17(11)16)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyPNDXXFVMEQBBJV-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.90
Rot. Bonds1

About 4-methyl-1-phenylindeno[2,1-b]furan-2-one

4-methyl-1-phenylindeno[2,1-b]furan-2-one (PubChem CID 71416090) has the molecular formula C18H12O2 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-methyl-1-phenylindeno[2,1-b]furan-2-one.

Molecular Properties

Compound Name4-methyl-1-phenylindeno[2,1-b]furan-2-one
PubChem CID71416090
Molecular FormulaC18H12O2
Molecular Weight260.29 g/mol
Exact Mass260.08
IUPAC Name4-methyl-1-phenylindeno[2,1-b]furan-2-one
SMILESCC1=C2OC(=O)C(c3ccccc3)=C2c2ccccc21
InChIInChI=1S/C18H12O2/c1-11-13-9-5-6-10-14(13)16-15(18(19)20-17(11)16)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyPNDXXFVMEQBBJV-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phenylindeno[2,1-b]furan-2-one?
The IUPAC name of 4-methyl-1-phenylindeno[2,1-b]furan-2-one (CID 71416090) is 4-methyl-1-phenylindeno[2,1-b]furan-2-one.
What is the SMILES notation for 4-methyl-1-phenylindeno[2,1-b]furan-2-one?
The canonical SMILES for 4-methyl-1-phenylindeno[2,1-b]furan-2-one is CC1=C2OC(=O)C(c3ccccc3)=C2c2ccccc21.
What is the InChIKey of 4-methyl-1-phenylindeno[2,1-b]furan-2-one?
The InChIKey is PNDXXFVMEQBBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O2/c1-11-13-9-5-6-10-14(13)16-15(18(19)20-17(11)16)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of 4-methyl-1-phenylindeno[2,1-b]furan-2-one?
4-methyl-1-phenylindeno[2,1-b]furan-2-one has a molecular weight of 260.29 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenylindeno[2,1-b]furan-2-one is sourced from PubChem (CID 71416090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).