(5R)-5-(2,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]oxolane-2,3-dione

C18H12Cl2O5 — CID 7392525

IUPAC(5R)-5-(2,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]oxolane-2,3-dione
SMILESCOc1ccc(C(O)=C2C(=O)C(=O)O[C@H]2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H12Cl2O5/c1-24-11-5-2-9(3-6-11)15(21)14-16(22)18(23)25-17(14)12-7-4-10(19)8-13(12)20/h2-8,17,21H,1H3/t17-/m0/s1
InChIKeyREAKDHYMGAXTAG-KRWDZBQOSA-N
MW379.20 g/mol
LogP4.14
Rot. Bonds3

About (5R)-5-(2,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]oxolane-2,3-dione

(5R)-5-(2,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]oxolane-2,3-dione (PubChem CID 7392525) has the molecular formula C18H12Cl2O5 and a molecular weight of 379.20 g/mol. Its IUPAC name is (5R)-5-(2,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]oxolane-2,3-dione.

Molecular Properties

Compound Name(5R)-5-(2,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]oxolane-2,3-dione
PubChem CID7392525
Molecular FormulaC18H12Cl2O5
Molecular Weight379.20 g/mol
Exact Mass378.01
IUPAC Name(5R)-5-(2,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]oxolane-2,3-dione
SMILESCOc1ccc(C(O)=C2C(=O)C(=O)O[C@H]2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H12Cl2O5/c1-24-11-5-2-9(3-6-11)15(21)14-16(22)18(23)25-17(14)12-7-4-10(19)8-13(12)20/h2-8,17,21H,1H3/t17-/m0/s1
InChIKeyREAKDHYMGAXTAG-KRWDZBQOSA-N
XLogP4.14
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5R)-5-(2,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]oxolane-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z)-5-(2,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]oxolane-2,3-dione
CID 18532260
5-(2,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]oxolane-2,3-dione
CID 3433412
(4E,5S)-5-(2,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 98321069
(5R)-5-(2,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2,3-dione
CID 1496363
(4Z)-1-(3-chlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione
CID 108677508
(4E)-5-(4-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]oxolane-2,3-dione
CID 6224267
(4Z)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(4-methoxyphenyl)-5-(3-methylphenyl)pyrrolidine-2,3-dione
CID 108584239
(4E,5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2,4-dimethoxyphenyl)-1-methylpyrrolidine-2,3-dione
CID 5442713
(4E,5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione
CID 5441845
4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 3321851
1-benzyl-5-(3-chlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 3389371
(4E,5S)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-nitrophenyl)oxolane-2,3-dione
CID 98381913

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]oxolane-2,3-dione?
The IUPAC name of (5R)-5-(2,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]oxolane-2,3-dione (CID 7392525) is (5R)-5-(2,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]oxolane-2,3-dione.
What is the SMILES notation for (5R)-5-(2,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]oxolane-2,3-dione?
The canonical SMILES for (5R)-5-(2,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]oxolane-2,3-dione is COc1ccc(C(O)=C2C(=O)C(=O)O[C@H]2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (5R)-5-(2,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]oxolane-2,3-dione?
The InChIKey is REAKDHYMGAXTAG-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H12Cl2O5/c1-24-11-5-2-9(3-6-11)15(21)14-16(22)18(23)25-17(14)12-7-4-10(19)8-13(12)20/h2-8,17,21H,1H3/t17-/m0/s1.
What are the key properties of (5R)-5-(2,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]oxolane-2,3-dione?
(5R)-5-(2,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]oxolane-2,3-dione has a molecular weight of 379.20 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]oxolane-2,3-dione is sourced from PubChem (CID 7392525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).