(6E)-7-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-3-methylfuro[3,2-g]chromen-5-one

C25H16Cl2O3 — CID 25148151

IUPAC(6E)-7-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-3-methylfuro[3,2-g]chromen-5-one
SMILESCc1coc2cc3c(cc12)C(=O)/C(=C/c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)O3
InChIInChI=1S/C25H16Cl2O3/c1-14-13-29-22-12-23-20(11-19(14)22)24(28)21(10-15-2-6-17(26)7-3-15)25(30-23)16-4-8-18(27)9-5-16/h2-13,25H,1H3/b21-10-
InChIKeyPAYZNDUSHXHVSO-FBHDLOMBSA-N
MW435.31 g/mol
LogP7.45
Rot. Bonds2

About (6E)-7-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-3-methylfuro[3,2-g]chromen-5-one

(6E)-7-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-3-methylfuro[3,2-g]chromen-5-one (PubChem CID 25148151) has the molecular formula C25H16Cl2O3 and a molecular weight of 435.31 g/mol. Its IUPAC name is (6E)-7-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-3-methylfuro[3,2-g]chromen-5-one.

Molecular Properties

Compound Name(6E)-7-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-3-methylfuro[3,2-g]chromen-5-one
PubChem CID25148151
Molecular FormulaC25H16Cl2O3
Molecular Weight435.31 g/mol
Exact Mass434.05
IUPAC Name(6E)-7-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-3-methylfuro[3,2-g]chromen-5-one
SMILESCc1coc2cc3c(cc12)C(=O)/C(=C/c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)O3
InChIInChI=1S/C25H16Cl2O3/c1-14-13-29-22-12-23-20(11-19(14)22)24(28)21(10-15-2-6-17(26)7-3-15)25(30-23)16-4-8-18(27)9-5-16/h2-13,25H,1H3/b21-10-
InChIKeyPAYZNDUSHXHVSO-FBHDLOMBSA-N
XLogP7.45
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.31
LogP ≤ 57.45
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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Frequently Asked Questions

What is the IUPAC name of (6E)-7-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-3-methylfuro[3,2-g]chromen-5-one?
The IUPAC name of (6E)-7-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-3-methylfuro[3,2-g]chromen-5-one (CID 25148151) is (6E)-7-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-3-methylfuro[3,2-g]chromen-5-one.
What is the SMILES notation for (6E)-7-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-3-methylfuro[3,2-g]chromen-5-one?
The canonical SMILES for (6E)-7-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-3-methylfuro[3,2-g]chromen-5-one is Cc1coc2cc3c(cc12)C(=O)/C(=C/c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)O3.
What is the InChIKey of (6E)-7-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-3-methylfuro[3,2-g]chromen-5-one?
The InChIKey is PAYZNDUSHXHVSO-FBHDLOMBSA-N. The full InChI is InChI=1S/C25H16Cl2O3/c1-14-13-29-22-12-23-20(11-19(14)22)24(28)21(10-15-2-6-17(26)7-3-15)25(30-23)16-4-8-18(27)9-5-16/h2-13,25H,1H3/b21-10-.
What are the key properties of (6E)-7-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-3-methylfuro[3,2-g]chromen-5-one?
(6E)-7-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-3-methylfuro[3,2-g]chromen-5-one has a molecular weight of 435.31 g/mol, XLogP of 7.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-7-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-3-methylfuro[3,2-g]chromen-5-one is sourced from PubChem (CID 25148151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).