(3Z)-5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-2-oxofuran-3-ylidene]furan-2-one

C20H10Cl2O4 — CID 177426149

IUPAC(3Z)-5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-2-oxofuran-3-ylidene]furan-2-one
SMILESO=C1OC(c2ccc(Cl)cc2)=C/C1=C1\C=C(c2ccc(Cl)cc2)OC1=O
InChIInChI=1S/C20H10Cl2O4/c21-13-5-1-11(2-6-13)17-9-15(19(23)25-17)16-10-18(26-20(16)24)12-3-7-14(22)8-4-12/h1-10H/b16-15-
InChIKeyCXXSGIZRJKBIFP-NXVVXOECSA-N
MW385.20 g/mol
LogP4.79
Rot. Bonds2

About (3Z)-5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-2-oxofuran-3-ylidene]furan-2-one

(3Z)-5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-2-oxofuran-3-ylidene]furan-2-one (PubChem CID 177426149) has the molecular formula C20H10Cl2O4 and a molecular weight of 385.20 g/mol. Its IUPAC name is (3Z)-5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-2-oxofuran-3-ylidene]furan-2-one.

Molecular Properties

Compound Name(3Z)-5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-2-oxofuran-3-ylidene]furan-2-one
PubChem CID177426149
Molecular FormulaC20H10Cl2O4
Molecular Weight385.20 g/mol
Exact Mass384.00
IUPAC Name(3Z)-5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-2-oxofuran-3-ylidene]furan-2-one
SMILESO=C1OC(c2ccc(Cl)cc2)=C/C1=C1\C=C(c2ccc(Cl)cc2)OC1=O
InChIInChI=1S/C20H10Cl2O4/c21-13-5-1-11(2-6-13)17-9-15(19(23)25-17)16-10-18(26-20(16)24)12-3-7-14(22)8-4-12/h1-10H/b16-15-
InChIKeyCXXSGIZRJKBIFP-NXVVXOECSA-N
XLogP4.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.20
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-2-oxofuran-3-ylidene]furan-2-one?
The IUPAC name of (3Z)-5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-2-oxofuran-3-ylidene]furan-2-one (CID 177426149) is (3Z)-5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-2-oxofuran-3-ylidene]furan-2-one.
What is the SMILES notation for (3Z)-5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-2-oxofuran-3-ylidene]furan-2-one?
The canonical SMILES for (3Z)-5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-2-oxofuran-3-ylidene]furan-2-one is O=C1OC(c2ccc(Cl)cc2)=C/C1=C1\C=C(c2ccc(Cl)cc2)OC1=O.
What is the InChIKey of (3Z)-5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-2-oxofuran-3-ylidene]furan-2-one?
The InChIKey is CXXSGIZRJKBIFP-NXVVXOECSA-N. The full InChI is InChI=1S/C20H10Cl2O4/c21-13-5-1-11(2-6-13)17-9-15(19(23)25-17)16-10-18(26-20(16)24)12-3-7-14(22)8-4-12/h1-10H/b16-15-.
What are the key properties of (3Z)-5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-2-oxofuran-3-ylidene]furan-2-one?
(3Z)-5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-2-oxofuran-3-ylidene]furan-2-one has a molecular weight of 385.20 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-2-oxofuran-3-ylidene]furan-2-one is sourced from PubChem (CID 177426149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).