3-methyl-5-phenyl-3H-2-benzofuran-1-one

C15H12O2 — CID 156634923

IUPAC3-methyl-5-phenyl-3H-2-benzofuran-1-one
SMILESCC1OC(=O)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C15H12O2/c1-10-14-9-12(11-5-3-2-4-6-11)7-8-13(14)15(16)17-10/h2-10H,1H3
InChIKeyQKACNVABQAUECO-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.59
Rot. Bonds1

About 3-methyl-5-phenyl-3H-2-benzofuran-1-one

3-methyl-5-phenyl-3H-2-benzofuran-1-one (PubChem CID 156634923) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-methyl-5-phenyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-methyl-5-phenyl-3H-2-benzofuran-1-one
PubChem CID156634923
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name3-methyl-5-phenyl-3H-2-benzofuran-1-one
SMILESCC1OC(=O)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C15H12O2/c1-10-14-9-12(11-5-3-2-4-6-11)7-8-13(14)15(16)17-10/h2-10H,1H3
InChIKeyQKACNVABQAUECO-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-5-chloro-3-methyl-3H-2-benzofuran-1-one
CID 168984484
3-methyl-1-oxo-3H-2-benzofuran-5-carbaldehyde
CID 58586239
3-methyl-5-phenyl-2,3-dihydroinden-1-one
CID 11637152
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
3-hydroxy-5-phenyl-2,3-dihydroisoindol-1-one
CID 175436163
3-(2-hydroxyethyl)-6-phenyl-3H-2-benzofuran-1-one
CID 118936445
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
bis(1,3-diphenylbenzene);ethane
CID 144938975
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
1,2,4-triphenylbenzene;1,3,5-triphenylbenzene
CID 162004033

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-3H-2-benzofuran-1-one?
The IUPAC name of 3-methyl-5-phenyl-3H-2-benzofuran-1-one (CID 156634923) is 3-methyl-5-phenyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-methyl-5-phenyl-3H-2-benzofuran-1-one?
The canonical SMILES for 3-methyl-5-phenyl-3H-2-benzofuran-1-one is CC1OC(=O)c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 3-methyl-5-phenyl-3H-2-benzofuran-1-one?
The InChIKey is QKACNVABQAUECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-10-14-9-12(11-5-3-2-4-6-11)7-8-13(14)15(16)17-10/h2-10H,1H3.
What are the key properties of 3-methyl-5-phenyl-3H-2-benzofuran-1-one?
3-methyl-5-phenyl-3H-2-benzofuran-1-one has a molecular weight of 224.26 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 156634923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).