7-hydroxy-7-methyl-2-phenyl-1-benzofuran-4-one

C15H12O3 — CID 154710624

IUPAC7-hydroxy-7-methyl-2-phenyl-1-benzofuran-4-one
SMILESCC1(O)C=CC(=O)c2cc(-c3ccccc3)oc21
InChIInChI=1S/C15H12O3/c1-15(17)8-7-12(16)11-9-13(18-14(11)15)10-5-3-2-4-6-10/h2-9,17H,1H3
InChIKeyXJJAUAMYRIEZKO-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.91
Rot. Bonds1

About 7-hydroxy-7-methyl-2-phenyl-1-benzofuran-4-one

7-hydroxy-7-methyl-2-phenyl-1-benzofuran-4-one (PubChem CID 154710624) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 7-hydroxy-7-methyl-2-phenyl-1-benzofuran-4-one.

Molecular Properties

Compound Name7-hydroxy-7-methyl-2-phenyl-1-benzofuran-4-one
PubChem CID154710624
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name7-hydroxy-7-methyl-2-phenyl-1-benzofuran-4-one
SMILESCC1(O)C=CC(=O)c2cc(-c3ccccc3)oc21
InChIInChI=1S/C15H12O3/c1-15(17)8-7-12(16)11-9-13(18-14(11)15)10-5-3-2-4-6-10/h2-9,17H,1H3
InChIKeyXJJAUAMYRIEZKO-UHFFFAOYSA-N
XLogP2.91
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-hydroxy-7-methyl-2-phenyl-1-benzofuran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-hydroxy-7-methyl-2-(3-methylphenyl)-1-benzofuran-4-one
CID 154710794
methyl 2-oxo-4,6-diphenylpyran-3-carboxylate
CID 138984792
acetic acid;naphthalene-1,4-dione
CID 163817542
2-chloro-3,5-diphenylfuran
CID 10824877
2-(tert-butylamino)-6-phenyl-1,3-oxazin-4-one
CID 14268152
2-tert-butyl-5-(4-methylphenyl)-3-phenylfuran
CID 24751820
2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one
CID 10880922
ethane;naphthalene-1,4-dione
CID 54088717
2-(hydroxymethyl)-6-phenylpyran-4-one
CID 10584240
2-methoxy-6-phenylpyran-4-one
CID 568371
2-[1-(3,5-diphenylfuran-2-yl)propyl]-3,5-diphenylfuran
CID 102516558
2-(furan-2-yl)-6-phenylpyran-4-one
CID 10657547

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-7-methyl-2-phenyl-1-benzofuran-4-one?
The IUPAC name of 7-hydroxy-7-methyl-2-phenyl-1-benzofuran-4-one (CID 154710624) is 7-hydroxy-7-methyl-2-phenyl-1-benzofuran-4-one.
What is the SMILES notation for 7-hydroxy-7-methyl-2-phenyl-1-benzofuran-4-one?
The canonical SMILES for 7-hydroxy-7-methyl-2-phenyl-1-benzofuran-4-one is CC1(O)C=CC(=O)c2cc(-c3ccccc3)oc21.
What is the InChIKey of 7-hydroxy-7-methyl-2-phenyl-1-benzofuran-4-one?
The InChIKey is XJJAUAMYRIEZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-15(17)8-7-12(16)11-9-13(18-14(11)15)10-5-3-2-4-6-10/h2-9,17H,1H3.
What are the key properties of 7-hydroxy-7-methyl-2-phenyl-1-benzofuran-4-one?
7-hydroxy-7-methyl-2-phenyl-1-benzofuran-4-one has a molecular weight of 240.26 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-7-methyl-2-phenyl-1-benzofuran-4-one is sourced from PubChem (CID 154710624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).