1-[(1E)-1-[(4-chlorophenyl)methylidene]-2H-naphthalen-2-yl]propan-2-one

C20H17ClO — CID 132530201

IUPAC1-[(1E)-1-[(4-chlorophenyl)methylidene]-2H-naphthalen-2-yl]propan-2-one
SMILESCC(=O)CC1C=Cc2ccccc2/C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClO/c1-14(22)12-17-9-8-16-4-2-3-5-19(16)20(17)13-15-6-10-18(21)11-7-15/h2-11,13,17H,12H2,1H3/b20-13+
InChIKeyDZTJWEJQYKGLIR-DEDYPNTBSA-N
MW308.81 g/mol
LogP5.50
Rot. Bonds3

About 1-[(1E)-1-[(4-chlorophenyl)methylidene]-2H-naphthalen-2-yl]propan-2-one

1-[(1E)-1-[(4-chlorophenyl)methylidene]-2H-naphthalen-2-yl]propan-2-one (PubChem CID 132530201) has the molecular formula C20H17ClO and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-[(1E)-1-[(4-chlorophenyl)methylidene]-2H-naphthalen-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[(1E)-1-[(4-chlorophenyl)methylidene]-2H-naphthalen-2-yl]propan-2-one
PubChem CID132530201
Molecular FormulaC20H17ClO
Molecular Weight308.81 g/mol
Exact Mass308.10
IUPAC Name1-[(1E)-1-[(4-chlorophenyl)methylidene]-2H-naphthalen-2-yl]propan-2-one
SMILESCC(=O)CC1C=Cc2ccccc2/C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClO/c1-14(22)12-17-9-8-16-4-2-3-5-19(16)20(17)13-15-6-10-18(21)11-7-15/h2-11,13,17H,12H2,1H3/b20-13+
InChIKeyDZTJWEJQYKGLIR-DEDYPNTBSA-N
XLogP5.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.81
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-1-acetyl-3-[(4-chlorophenyl)methylidene]indol-2-one
CID 135073524
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2-[4-[(E)-inden-1-ylidenemethyl]-N-methylanilino]acetate
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ethyl 2-[(1E)-1-[(4-chlorophenyl)methylidene]-3-oxoisoindol-2-yl]acetate
CID 110188971
benzaldehyde;4-chlorobenzaldehyde;4-methylbenzaldehyde
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(2E)-2-[(4-chlorophenyl)methylidene]-1-methylindol-3-one
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Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-1-[(4-chlorophenyl)methylidene]-2H-naphthalen-2-yl]propan-2-one?
The IUPAC name of 1-[(1E)-1-[(4-chlorophenyl)methylidene]-2H-naphthalen-2-yl]propan-2-one (CID 132530201) is 1-[(1E)-1-[(4-chlorophenyl)methylidene]-2H-naphthalen-2-yl]propan-2-one.
What is the SMILES notation for 1-[(1E)-1-[(4-chlorophenyl)methylidene]-2H-naphthalen-2-yl]propan-2-one?
The canonical SMILES for 1-[(1E)-1-[(4-chlorophenyl)methylidene]-2H-naphthalen-2-yl]propan-2-one is CC(=O)CC1C=Cc2ccccc2/C1=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-[(1E)-1-[(4-chlorophenyl)methylidene]-2H-naphthalen-2-yl]propan-2-one?
The InChIKey is DZTJWEJQYKGLIR-DEDYPNTBSA-N. The full InChI is InChI=1S/C20H17ClO/c1-14(22)12-17-9-8-16-4-2-3-5-19(16)20(17)13-15-6-10-18(21)11-7-15/h2-11,13,17H,12H2,1H3/b20-13+.
What are the key properties of 1-[(1E)-1-[(4-chlorophenyl)methylidene]-2H-naphthalen-2-yl]propan-2-one?
1-[(1E)-1-[(4-chlorophenyl)methylidene]-2H-naphthalen-2-yl]propan-2-one has a molecular weight of 308.81 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-1-[(4-chlorophenyl)methylidene]-2H-naphthalen-2-yl]propan-2-one is sourced from PubChem (CID 132530201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).