6-hydroxy-2-[(4-hydroxynaphthalen-1-yl)methylidene]-1-benzofuran-3-one

C19H12O4 — CID 175976907

IUPAC6-hydroxy-2-[(4-hydroxynaphthalen-1-yl)methylidene]-1-benzofuran-3-one
SMILESO=C1C(=Cc2ccc(O)c3ccccc23)Oc2cc(O)ccc21
InChIInChI=1S/C19H12O4/c20-12-6-7-15-17(10-12)23-18(19(15)22)9-11-5-8-16(21)14-4-2-1-3-13(11)14/h1-10,20-21H
InChIKeyZNIMOCSTLHGEAZ-UHFFFAOYSA-N
MW304.30 g/mol
LogP3.87
Rot. Bonds1

About 6-hydroxy-2-[(4-hydroxynaphthalen-1-yl)methylidene]-1-benzofuran-3-one

6-hydroxy-2-[(4-hydroxynaphthalen-1-yl)methylidene]-1-benzofuran-3-one (PubChem CID 175976907) has the molecular formula C19H12O4 and a molecular weight of 304.30 g/mol. Its IUPAC name is 6-hydroxy-2-[(4-hydroxynaphthalen-1-yl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name6-hydroxy-2-[(4-hydroxynaphthalen-1-yl)methylidene]-1-benzofuran-3-one
PubChem CID175976907
Molecular FormulaC19H12O4
Molecular Weight304.30 g/mol
Exact Mass304.07
IUPAC Name6-hydroxy-2-[(4-hydroxynaphthalen-1-yl)methylidene]-1-benzofuran-3-one
SMILESO=C1C(=Cc2ccc(O)c3ccccc23)Oc2cc(O)ccc21
InChIInChI=1S/C19H12O4/c20-12-6-7-15-17(10-12)23-18(19(15)22)9-11-5-8-16(21)14-4-2-1-3-13(11)14/h1-10,20-21H
InChIKeyZNIMOCSTLHGEAZ-UHFFFAOYSA-N
XLogP3.87
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2,4-dichlorophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 943159
(2E)-6-hydroxy-2-[(2-nitrophenyl)methylidene]-1-benzofuran-3-one
CID 24506556
(2E)-2-(furan-2-ylmethylidene)-6-hydroxy-1-benzofuran-3-one
CID 908039
(2Z)-2-[(3-bromophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 941626
(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-1-benzofuran-3-one
CID 71453621
2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 171131608
6-hydroxy-2-[(4-hydroxy-3-nitrophenyl)methylidene]-1-benzofuran-3-one
CID 4523806
(2Z)-2-[(3,4-dimethylphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 47241499
2-[(5-bromo-2-methoxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 3689060
(2Z)-2-[(2-aminopyrimidin-5-yl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 163286903
6-hydroxy-2-[(5-nitro-1H-indol-3-yl)methylidene]-1-benzofuran-3-one
CID 71278728
(2Z)-6-methoxy-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one
CID 5378595

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-[(4-hydroxynaphthalen-1-yl)methylidene]-1-benzofuran-3-one?
The IUPAC name of 6-hydroxy-2-[(4-hydroxynaphthalen-1-yl)methylidene]-1-benzofuran-3-one (CID 175976907) is 6-hydroxy-2-[(4-hydroxynaphthalen-1-yl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for 6-hydroxy-2-[(4-hydroxynaphthalen-1-yl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for 6-hydroxy-2-[(4-hydroxynaphthalen-1-yl)methylidene]-1-benzofuran-3-one is O=C1C(=Cc2ccc(O)c3ccccc23)Oc2cc(O)ccc21.
What is the InChIKey of 6-hydroxy-2-[(4-hydroxynaphthalen-1-yl)methylidene]-1-benzofuran-3-one?
The InChIKey is ZNIMOCSTLHGEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O4/c20-12-6-7-15-17(10-12)23-18(19(15)22)9-11-5-8-16(21)14-4-2-1-3-13(11)14/h1-10,20-21H.
What are the key properties of 6-hydroxy-2-[(4-hydroxynaphthalen-1-yl)methylidene]-1-benzofuran-3-one?
6-hydroxy-2-[(4-hydroxynaphthalen-1-yl)methylidene]-1-benzofuran-3-one has a molecular weight of 304.30 g/mol, XLogP of 3.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-[(4-hydroxynaphthalen-1-yl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 175976907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).