(2Z)-5-hydroxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one

C16H12O4 — CID 46838272

IUPAC(2Z)-5-hydroxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one
SMILESCOc1ccccc1/C=C1\Oc2ccc(O)cc2C1=O
InChIInChI=1S/C16H12O4/c1-19-13-5-3-2-4-10(13)8-15-16(18)12-9-11(17)6-7-14(12)20-15/h2-9,17H,1H3/b15-8-
InChIKeyUMGKPFPMKKEJRJ-NVNXTCNLSA-N
MW268.27 g/mol
LogP3.02
Rot. Bonds2

About (2Z)-5-hydroxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one

(2Z)-5-hydroxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 46838272) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is (2Z)-5-hydroxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-5-hydroxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one
PubChem CID46838272
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name(2Z)-5-hydroxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one
SMILESCOc1ccccc1/C=C1\Oc2ccc(O)cc2C1=O
InChIInChI=1S/C16H12O4/c1-19-13-5-3-2-4-10(13)8-15-16(18)12-9-11(17)6-7-14(12)20-15/h2-9,17H,1H3/b15-8-
InChIKeyUMGKPFPMKKEJRJ-NVNXTCNLSA-N
XLogP3.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-hydroxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-5-hydroxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one (CID 46838272) is (2Z)-5-hydroxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-5-hydroxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-5-hydroxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one is COc1ccccc1/C=C1\Oc2ccc(O)cc2C1=O.
What is the InChIKey of (2Z)-5-hydroxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is UMGKPFPMKKEJRJ-NVNXTCNLSA-N. The full InChI is InChI=1S/C16H12O4/c1-19-13-5-3-2-4-10(13)8-15-16(18)12-9-11(17)6-7-14(12)20-15/h2-9,17H,1H3/b15-8-.
What are the key properties of (2Z)-5-hydroxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one?
(2Z)-5-hydroxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 268.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-hydroxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 46838272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).