(3Z)-3-[(3-chlorophenyl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one

C22H15ClO2 — CID 2260320

IUPAC(3Z)-3-[(3-chlorophenyl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one
SMILESCc1ccc2cc(C3=C/C(=C/c4cccc(Cl)c4)C(=O)O3)ccc2c1
InChIInChI=1S/C22H15ClO2/c1-14-5-6-17-12-18(8-7-16(17)9-14)21-13-19(22(24)25-21)10-15-3-2-4-20(23)11-15/h2-13H,1H3/b19-10-
InChIKeyRZGVDOPNVBPNMY-GRSHGNNSSA-N
MW346.81 g/mol
LogP5.78
Rot. Bonds2

About (3Z)-3-[(3-chlorophenyl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one

(3Z)-3-[(3-chlorophenyl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one (PubChem CID 2260320) has the molecular formula C22H15ClO2 and a molecular weight of 346.81 g/mol. Its IUPAC name is (3Z)-3-[(3-chlorophenyl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one.

Molecular Properties

Compound Name(3Z)-3-[(3-chlorophenyl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one
PubChem CID2260320
Molecular FormulaC22H15ClO2
Molecular Weight346.81 g/mol
Exact Mass346.08
IUPAC Name(3Z)-3-[(3-chlorophenyl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one
SMILESCc1ccc2cc(C3=C/C(=C/c4cccc(Cl)c4)C(=O)O3)ccc2c1
InChIInChI=1S/C22H15ClO2/c1-14-5-6-17-12-18(8-7-16(17)9-14)21-13-19(22(24)25-21)10-15-3-2-4-20(23)11-15/h2-13H,1H3/b19-10-
InChIKeyRZGVDOPNVBPNMY-GRSHGNNSSA-N
XLogP5.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.81
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3-chlorophenyl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one?
The IUPAC name of (3Z)-3-[(3-chlorophenyl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one (CID 2260320) is (3Z)-3-[(3-chlorophenyl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one.
What is the SMILES notation for (3Z)-3-[(3-chlorophenyl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one?
The canonical SMILES for (3Z)-3-[(3-chlorophenyl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one is Cc1ccc2cc(C3=C/C(=C/c4cccc(Cl)c4)C(=O)O3)ccc2c1.
What is the InChIKey of (3Z)-3-[(3-chlorophenyl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one?
The InChIKey is RZGVDOPNVBPNMY-GRSHGNNSSA-N. The full InChI is InChI=1S/C22H15ClO2/c1-14-5-6-17-12-18(8-7-16(17)9-14)21-13-19(22(24)25-21)10-15-3-2-4-20(23)11-15/h2-13H,1H3/b19-10-.
What are the key properties of (3Z)-3-[(3-chlorophenyl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one?
(3Z)-3-[(3-chlorophenyl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one has a molecular weight of 346.81 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3-chlorophenyl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one is sourced from PubChem (CID 2260320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).