7-hydroxy-3-(6-methylnaphthalen-2-yl)-2H-1-benzofuran-4-one

C19H14O3 — CID 139606899

IUPAC7-hydroxy-3-(6-methylnaphthalen-2-yl)-2H-1-benzofuran-4-one
SMILESCc1ccc2cc(C3=C4C(=O)C=CC(O)=C4OC3)ccc2c1
InChIInChI=1S/C19H14O3/c1-11-2-3-13-9-14(5-4-12(13)8-11)15-10-22-19-17(21)7-6-16(20)18(15)19/h2-9,21H,10H2,1H3
InChIKeyCXAHVOXPSKOYKR-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.84
Rot. Bonds1

About 7-hydroxy-3-(6-methylnaphthalen-2-yl)-2H-1-benzofuran-4-one

7-hydroxy-3-(6-methylnaphthalen-2-yl)-2H-1-benzofuran-4-one (PubChem CID 139606899) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 7-hydroxy-3-(6-methylnaphthalen-2-yl)-2H-1-benzofuran-4-one.

Molecular Properties

Compound Name7-hydroxy-3-(6-methylnaphthalen-2-yl)-2H-1-benzofuran-4-one
PubChem CID139606899
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Name7-hydroxy-3-(6-methylnaphthalen-2-yl)-2H-1-benzofuran-4-one
SMILESCc1ccc2cc(C3=C4C(=O)C=CC(O)=C4OC3)ccc2c1
InChIInChI=1S/C19H14O3/c1-11-2-3-13-9-14(5-4-12(13)8-11)15-10-22-19-17(21)7-6-16(20)18(15)19/h2-9,21H,10H2,1H3
InChIKeyCXAHVOXPSKOYKR-UHFFFAOYSA-N
XLogP3.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-hydroxy-3-(6-methylnaphthalen-2-yl)-2H-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

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(6-methylnaphthalen-2-yl)-2H-1-benzofuran-4-one?
The IUPAC name of 7-hydroxy-3-(6-methylnaphthalen-2-yl)-2H-1-benzofuran-4-one (CID 139606899) is 7-hydroxy-3-(6-methylnaphthalen-2-yl)-2H-1-benzofuran-4-one.
What is the SMILES notation for 7-hydroxy-3-(6-methylnaphthalen-2-yl)-2H-1-benzofuran-4-one?
The canonical SMILES for 7-hydroxy-3-(6-methylnaphthalen-2-yl)-2H-1-benzofuran-4-one is Cc1ccc2cc(C3=C4C(=O)C=CC(O)=C4OC3)ccc2c1.
What is the InChIKey of 7-hydroxy-3-(6-methylnaphthalen-2-yl)-2H-1-benzofuran-4-one?
The InChIKey is CXAHVOXPSKOYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c1-11-2-3-13-9-14(5-4-12(13)8-11)15-10-22-19-17(21)7-6-16(20)18(15)19/h2-9,21H,10H2,1H3.
What are the key properties of 7-hydroxy-3-(6-methylnaphthalen-2-yl)-2H-1-benzofuran-4-one?
7-hydroxy-3-(6-methylnaphthalen-2-yl)-2H-1-benzofuran-4-one has a molecular weight of 290.32 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(6-methylnaphthalen-2-yl)-2H-1-benzofuran-4-one is sourced from PubChem (CID 139606899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).