3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one

C21H16O2 — CID 100934650

IUPAC3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one
SMILESCC1(c2ccc(-c3ccccc3)cc2)OC(=O)c2ccccc21
InChIInChI=1S/C21H16O2/c1-21(19-10-6-5-9-18(19)20(22)23-21)17-13-11-16(12-14-17)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeyAZLZNUPVNQHQAT-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.79
Rot. Bonds2

About 3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one

3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one (PubChem CID 100934650) has the molecular formula C21H16O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one.

Molecular Properties

Compound Name3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one
PubChem CID100934650
Molecular FormulaC21H16O2
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Name3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one
SMILESCC1(c2ccc(-c3ccccc3)cc2)OC(=O)c2ccccc21
InChIInChI=1S/C21H16O2/c1-21(19-10-6-5-9-18(19)20(22)23-21)17-13-11-16(12-14-17)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeyAZLZNUPVNQHQAT-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzene;3,3-dimethyl-2-benzofuran-1-one;ethane;methoxymethane
CID 91422174
(3S)-3-methyl-3-(4-methylnaphthalen-1-yl)-2-benzofuran-1-one
CID 125478546
3-methoxy-3-methyl-2-benzofuran-1-one
CID 15483639
3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one
CID 10920180
3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one
CID 54054786
3-(4-methylphenyl)-3-(phenylselanylmethyl)-2-benzofuran-1-one
CID 132514689
3-(1-benzothiophen-2-yl)-3-methyl-2-benzofuran-1-one
CID 13004758
3-hydroxy-3-phenyl-2-benzofuran-1-one
CID 12677389
(3S)-3-methoxy-3-phenyl-2-benzofuran-1-one
CID 1224663
2-[4-[3-fluoro-5-[4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168802872
3,3-bis[4-[(2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)oxy]phenyl]-2-benzofuran-1-one
CID 102434418
3-chloro-3-iodo-2-benzofuran-1-one
CID 121481458

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one?
The IUPAC name of 3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one (CID 100934650) is 3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one.
What is the SMILES notation for 3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one?
The canonical SMILES for 3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one is CC1(c2ccc(-c3ccccc3)cc2)OC(=O)c2ccccc21.
What is the InChIKey of 3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one?
The InChIKey is AZLZNUPVNQHQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O2/c1-21(19-10-6-5-9-18(19)20(22)23-21)17-13-11-16(12-14-17)15-7-3-2-4-8-15/h2-14H,1H3.
What are the key properties of 3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one?
3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one has a molecular weight of 300.36 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one is sourced from PubChem (CID 100934650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).