(3E)-3-[(2-methoxynaphthalen-1-yl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one

C27H20O3 — CID 2260460

IUPAC(3E)-3-[(2-methoxynaphthalen-1-yl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one
SMILESCOc1ccc2ccccc2c1/C=C1\C=C(c2ccc3cc(C)ccc3c2)OC1=O
InChIInChI=1S/C27H20O3/c1-17-7-8-20-14-21(10-9-19(20)13-17)26-16-22(27(28)30-26)15-24-23-6-4-3-5-18(23)11-12-25(24)29-2/h3-16H,1-2H3/b22-15+
InChIKeyDBHOXXWHYJWMNO-PXLXIMEGSA-N
MW392.45 g/mol
LogP6.29
Rot. Bonds3

About (3E)-3-[(2-methoxynaphthalen-1-yl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one

(3E)-3-[(2-methoxynaphthalen-1-yl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one (PubChem CID 2260460) has the molecular formula C27H20O3 and a molecular weight of 392.45 g/mol. Its IUPAC name is (3E)-3-[(2-methoxynaphthalen-1-yl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one.

Molecular Properties

Compound Name(3E)-3-[(2-methoxynaphthalen-1-yl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one
PubChem CID2260460
Molecular FormulaC27H20O3
Molecular Weight392.45 g/mol
Exact Mass392.14
IUPAC Name(3E)-3-[(2-methoxynaphthalen-1-yl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one
SMILESCOc1ccc2ccccc2c1/C=C1\C=C(c2ccc3cc(C)ccc3c2)OC1=O
InChIInChI=1S/C27H20O3/c1-17-7-8-20-14-21(10-9-19(20)13-17)26-16-22(27(28)30-26)15-24-23-6-4-3-5-18(23)11-12-25(24)29-2/h3-16H,1-2H3/b22-15+
InChIKeyDBHOXXWHYJWMNO-PXLXIMEGSA-N
XLogP6.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.45
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-5-(6-methylnaphthalen-2-yl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one
CID 2261084
(3E)-5-(3,4-dimethylphenyl)-3-[(2-phenylmethoxynaphthalen-1-yl)methylidene]furan-2-one
CID 126059912
3-[(3-methoxyphenyl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one
CID 869164
(3E)-3-(anthracen-9-ylmethylidene)-5-(2,5-dimethoxyphenyl)furan-2-one
CID 6313006
(3E)-3-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-5-(4-phenylphenyl)furan-2-one
CID 126057645
3-[(2,5-dimethoxyphenyl)methylidene]-5-(4-methylphenyl)furan-2-one
CID 2860642
(3E)-3-(anthracen-9-ylmethylidene)-5-(4-phenylphenyl)furan-2-one
CID 11091173
(3Z)-5-(6-methylnaphthalen-2-yl)-3-[(2-nitrophenyl)methylidene]furan-2-one
CID 2260903
3-[(2,3-dimethoxyphenyl)methylidene]-5-(4-methylphenyl)furan-2-one
CID 867927
(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-5-naphthalen-1-ylfuran-2-one
CID 1355944
3-[(3,4-dimethoxyphenyl)methylidene]-5-(3,4-dimethylphenyl)furan-2-one
CID 809096
(3Z)-5-(3,4-dimethylphenyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one
CID 5441770

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2-methoxynaphthalen-1-yl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one?
The IUPAC name of (3E)-3-[(2-methoxynaphthalen-1-yl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one (CID 2260460) is (3E)-3-[(2-methoxynaphthalen-1-yl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one.
What is the SMILES notation for (3E)-3-[(2-methoxynaphthalen-1-yl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one?
The canonical SMILES for (3E)-3-[(2-methoxynaphthalen-1-yl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one is COc1ccc2ccccc2c1/C=C1\C=C(c2ccc3cc(C)ccc3c2)OC1=O.
What is the InChIKey of (3E)-3-[(2-methoxynaphthalen-1-yl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one?
The InChIKey is DBHOXXWHYJWMNO-PXLXIMEGSA-N. The full InChI is InChI=1S/C27H20O3/c1-17-7-8-20-14-21(10-9-19(20)13-17)26-16-22(27(28)30-26)15-24-23-6-4-3-5-18(23)11-12-25(24)29-2/h3-16H,1-2H3/b22-15+.
What are the key properties of (3E)-3-[(2-methoxynaphthalen-1-yl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one?
(3E)-3-[(2-methoxynaphthalen-1-yl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one has a molecular weight of 392.45 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2-methoxynaphthalen-1-yl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one is sourced from PubChem (CID 2260460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).