7-hydroxy-7-methyl-2-(3-methylphenyl)-1-benzofuran-4-one

C16H14O3 — CID 154710794

IUPAC7-hydroxy-7-methyl-2-(3-methylphenyl)-1-benzofuran-4-one
SMILESCc1cccc(-c2cc3c(o2)C(C)(O)C=CC3=O)c1
InChIInChI=1S/C16H14O3/c1-10-4-3-5-11(8-10)14-9-12-13(17)6-7-16(2,18)15(12)19-14/h3-9,18H,1-2H3
InChIKeyAPQSEAOPOYODBR-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.22
Rot. Bonds1

About 7-hydroxy-7-methyl-2-(3-methylphenyl)-1-benzofuran-4-one

7-hydroxy-7-methyl-2-(3-methylphenyl)-1-benzofuran-4-one (PubChem CID 154710794) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 7-hydroxy-7-methyl-2-(3-methylphenyl)-1-benzofuran-4-one.

Molecular Properties

Compound Name7-hydroxy-7-methyl-2-(3-methylphenyl)-1-benzofuran-4-one
PubChem CID154710794
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name7-hydroxy-7-methyl-2-(3-methylphenyl)-1-benzofuran-4-one
SMILESCc1cccc(-c2cc3c(o2)C(C)(O)C=CC3=O)c1
InChIInChI=1S/C16H14O3/c1-10-4-3-5-11(8-10)14-9-12-13(17)6-7-16(2,18)15(12)19-14/h3-9,18H,1-2H3
InChIKeyAPQSEAOPOYODBR-UHFFFAOYSA-N
XLogP3.22
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-hydroxy-7-methyl-2-phenyl-1-benzofuran-4-one
CID 154710624
2,6-bis(3-methylphenyl)pyran-4-one
CID 73055523
4-hydroxy-6-(3-methylphenyl)pyran-2-one
CID 54690178
4,9,14-tris(3-methylphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 102106371
6-(3-methylphenyl)-2-[6-(3-methylphenyl)furo[3,2-f][1]benzofuran-2-yl]furo[3,2-f][1]benzofuran
CID 145031024
7-hydroxy-3-(3-methylphenyl)isochromen-1-one
CID 118395492
6-amino-2-(3-methylphenyl)chromen-4-one
CID 18568648
5-(3-methylphenyl)furan-2-carboxylate
CID 6957364
2-[5-(3-methylphenyl)furan-2-yl]acetic acid
CID 35754290
1,4,5,8-tetrakis(3-methylphenyl)anthracene-9,10-dione
CID 25054148
3-(3-methylphenyl)-7-nitrosoisochromen-1-one
CID 138613162
7-methoxy-3-(3-methylphenyl)chromen-2-one
CID 87584032

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-7-methyl-2-(3-methylphenyl)-1-benzofuran-4-one?
The IUPAC name of 7-hydroxy-7-methyl-2-(3-methylphenyl)-1-benzofuran-4-one (CID 154710794) is 7-hydroxy-7-methyl-2-(3-methylphenyl)-1-benzofuran-4-one.
What is the SMILES notation for 7-hydroxy-7-methyl-2-(3-methylphenyl)-1-benzofuran-4-one?
The canonical SMILES for 7-hydroxy-7-methyl-2-(3-methylphenyl)-1-benzofuran-4-one is Cc1cccc(-c2cc3c(o2)C(C)(O)C=CC3=O)c1.
What is the InChIKey of 7-hydroxy-7-methyl-2-(3-methylphenyl)-1-benzofuran-4-one?
The InChIKey is APQSEAOPOYODBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-10-4-3-5-11(8-10)14-9-12-13(17)6-7-16(2,18)15(12)19-14/h3-9,18H,1-2H3.
What are the key properties of 7-hydroxy-7-methyl-2-(3-methylphenyl)-1-benzofuran-4-one?
7-hydroxy-7-methyl-2-(3-methylphenyl)-1-benzofuran-4-one has a molecular weight of 254.28 g/mol, XLogP of 3.22, 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-(3-methylphenyl)-1-benzofuran-4-one is sourced from PubChem (CID 154710794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).