3,3-bis(3-methylphenyl)-2-benzofuran-1-one

C22H18O2 — CID 3090246

IUPAC3,3-bis(3-methylphenyl)-2-benzofuran-1-one
SMILESCc1cccc(C2(c3cccc(C)c3)OC(=O)c3ccccc32)c1
InChIInChI=1S/C22H18O2/c1-15-7-5-9-17(13-15)22(18-10-6-8-16(2)14-18)20-12-4-3-11-19(20)21(23)24-22/h3-14H,1-2H3
InChIKeyKROILPPVVWCRKD-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.77
Rot. Bonds2

About 3,3-bis(3-methylphenyl)-2-benzofuran-1-one

3,3-bis(3-methylphenyl)-2-benzofuran-1-one (PubChem CID 3090246) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3,3-bis(3-methylphenyl)-2-benzofuran-1-one.

Molecular Properties

Compound Name3,3-bis(3-methylphenyl)-2-benzofuran-1-one
PubChem CID3090246
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name3,3-bis(3-methylphenyl)-2-benzofuran-1-one
SMILESCc1cccc(C2(c3cccc(C)c3)OC(=O)c3ccccc32)c1
InChIInChI=1S/C22H18O2/c1-15-7-5-9-17(13-15)22(18-10-6-8-16(2)14-18)20-12-4-3-11-19(20)21(23)24-22/h3-14H,1-2H3
InChIKeyKROILPPVVWCRKD-UHFFFAOYSA-N
XLogP4.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-bis(3-methylphenyl)-2-benzofuran-1-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 3,3-bis(3-methylphenyl)-2-benzofuran-1-one?
The IUPAC name of 3,3-bis(3-methylphenyl)-2-benzofuran-1-one (CID 3090246) is 3,3-bis(3-methylphenyl)-2-benzofuran-1-one.
What is the SMILES notation for 3,3-bis(3-methylphenyl)-2-benzofuran-1-one?
The canonical SMILES for 3,3-bis(3-methylphenyl)-2-benzofuran-1-one is Cc1cccc(C2(c3cccc(C)c3)OC(=O)c3ccccc32)c1.
What is the InChIKey of 3,3-bis(3-methylphenyl)-2-benzofuran-1-one?
The InChIKey is KROILPPVVWCRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c1-15-7-5-9-17(13-15)22(18-10-6-8-16(2)14-18)20-12-4-3-11-19(20)21(23)24-22/h3-14H,1-2H3.
What are the key properties of 3,3-bis(3-methylphenyl)-2-benzofuran-1-one?
3,3-bis(3-methylphenyl)-2-benzofuran-1-one has a molecular weight of 314.38 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(3-methylphenyl)-2-benzofuran-1-one is sourced from PubChem (CID 3090246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).