(5Z)-5-[(4-chlorophenyl)methylidene]-4-hydroxy-3-(4-phenylphenyl)furan-2-one

C23H15ClO3 — CID 54728603

IUPAC(5Z)-5-[(4-chlorophenyl)methylidene]-4-hydroxy-3-(4-phenylphenyl)furan-2-one
SMILESO=C1O/C(=C\c2ccc(Cl)cc2)C(O)=C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H15ClO3/c24-19-12-6-15(7-13-19)14-20-22(25)21(23(26)27-20)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-14,25H/b20-14-
InChIKeyLIVPIDHBDNCBEX-ZHZULCJRSA-N
MW374.82 g/mol
LogP5.87
Rot. Bonds3

About (5Z)-5-[(4-chlorophenyl)methylidene]-4-hydroxy-3-(4-phenylphenyl)furan-2-one

(5Z)-5-[(4-chlorophenyl)methylidene]-4-hydroxy-3-(4-phenylphenyl)furan-2-one (PubChem CID 54728603) has the molecular formula C23H15ClO3 and a molecular weight of 374.82 g/mol. Its IUPAC name is (5Z)-5-[(4-chlorophenyl)methylidene]-4-hydroxy-3-(4-phenylphenyl)furan-2-one.

Molecular Properties

Compound Name(5Z)-5-[(4-chlorophenyl)methylidene]-4-hydroxy-3-(4-phenylphenyl)furan-2-one
PubChem CID54728603
Molecular FormulaC23H15ClO3
Molecular Weight374.82 g/mol
Exact Mass374.07
IUPAC Name(5Z)-5-[(4-chlorophenyl)methylidene]-4-hydroxy-3-(4-phenylphenyl)furan-2-one
SMILESO=C1O/C(=C\c2ccc(Cl)cc2)C(O)=C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H15ClO3/c24-19-12-6-15(7-13-19)14-20-22(25)21(23(26)27-20)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-14,25H/b20-14-
InChIKeyLIVPIDHBDNCBEX-ZHZULCJRSA-N
XLogP5.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.82
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-4-hydroxy-3-(4-phenylphenyl)furan-2-one?
The IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-4-hydroxy-3-(4-phenylphenyl)furan-2-one (CID 54728603) is (5Z)-5-[(4-chlorophenyl)methylidene]-4-hydroxy-3-(4-phenylphenyl)furan-2-one.
What is the SMILES notation for (5Z)-5-[(4-chlorophenyl)methylidene]-4-hydroxy-3-(4-phenylphenyl)furan-2-one?
The canonical SMILES for (5Z)-5-[(4-chlorophenyl)methylidene]-4-hydroxy-3-(4-phenylphenyl)furan-2-one is O=C1O/C(=C\c2ccc(Cl)cc2)C(O)=C1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (5Z)-5-[(4-chlorophenyl)methylidene]-4-hydroxy-3-(4-phenylphenyl)furan-2-one?
The InChIKey is LIVPIDHBDNCBEX-ZHZULCJRSA-N. The full InChI is InChI=1S/C23H15ClO3/c24-19-12-6-15(7-13-19)14-20-22(25)21(23(26)27-20)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-14,25H/b20-14-.
What are the key properties of (5Z)-5-[(4-chlorophenyl)methylidene]-4-hydroxy-3-(4-phenylphenyl)furan-2-one?
(5Z)-5-[(4-chlorophenyl)methylidene]-4-hydroxy-3-(4-phenylphenyl)furan-2-one has a molecular weight of 374.82 g/mol, XLogP of 5.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-chlorophenyl)methylidene]-4-hydroxy-3-(4-phenylphenyl)furan-2-one is sourced from PubChem (CID 54728603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).