(2Z)-6-methoxy-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one

C20H14O3 — CID 5378595

IUPAC(2Z)-6-methoxy-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one
SMILESCOc1ccc2c(c1)O/C(=C\c1cccc3ccccc13)C2=O
InChIInChI=1S/C20H14O3/c1-22-15-9-10-17-18(12-15)23-19(20(17)21)11-14-7-4-6-13-5-2-3-8-16(13)14/h2-12H,1H3/b19-11-
InChIKeySUPIBMRBEWDXOL-ODLFYWEKSA-N
MW302.33 g/mol
LogP4.46
Rot. Bonds2

About (2Z)-6-methoxy-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one

(2Z)-6-methoxy-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one (PubChem CID 5378595) has the molecular formula C20H14O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2Z)-6-methoxy-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-6-methoxy-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one
PubChem CID5378595
Molecular FormulaC20H14O3
Molecular Weight302.33 g/mol
Exact Mass302.09
IUPAC Name(2Z)-6-methoxy-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one
SMILESCOc1ccc2c(c1)O/C(=C\c1cccc3ccccc13)C2=O
InChIInChI=1S/C20H14O3/c1-22-15-9-10-17-18(12-15)23-19(20(17)21)11-14-7-4-6-13-5-2-3-8-16(13)14/h2-12H,1H3/b19-11-
InChIKeySUPIBMRBEWDXOL-ODLFYWEKSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[(2-aminophenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 177440525
(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one
CID 642380
(2Z)-2-[(1-ethylindol-3-yl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 35494213
2-[(3,5-dimethoxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 85064486
6-methoxy-2-[(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one
CID 69003793
(2Z)-6-[3-[(3-hydroxyphenyl)methyl-methylamino]propoxy]-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one
CID 11225079
[(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methoxybenzoate
CID 6315334
ethyl 2-[2-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetate
CID 7197689
methyl (2S)-2-[2-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]propanoate
CID 7198127
(2Z)-5-chloro-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one
CID 18823473
[2-ethoxy-6-[(Z)-(6-ethoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] 3-methoxybenzoate
CID 18835957
[2-(1H-indol-3-ylmethylidene)-3-oxo-1-benzofuran-6-yl] 3-methoxybenzoate
CID 3601084

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-methoxy-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one?
The IUPAC name of (2Z)-6-methoxy-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one (CID 5378595) is (2Z)-6-methoxy-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-6-methoxy-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one?
The canonical SMILES for (2Z)-6-methoxy-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one is COc1ccc2c(c1)O/C(=C\c1cccc3ccccc13)C2=O.
What is the InChIKey of (2Z)-6-methoxy-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one?
The InChIKey is SUPIBMRBEWDXOL-ODLFYWEKSA-N. The full InChI is InChI=1S/C20H14O3/c1-22-15-9-10-17-18(12-15)23-19(20(17)21)11-14-7-4-6-13-5-2-3-8-16(13)14/h2-12H,1H3/b19-11-.
What are the key properties of (2Z)-6-methoxy-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one?
(2Z)-6-methoxy-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one has a molecular weight of 302.33 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-methoxy-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one is sourced from PubChem (CID 5378595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).