dimethyl 3-benzyl-4-(4-methoxycarbonylphenyl)cyclopent-3-ene-1,1-dicarboxylate

C24H24O6 — CID 11122399

IUPACdimethyl 3-benzyl-4-(4-methoxycarbonylphenyl)cyclopent-3-ene-1,1-dicarboxylate
SMILESCOC(=O)c1ccc(C2=C(Cc3ccccc3)CC(C(=O)OC)(C(=O)OC)C2)cc1
InChIInChI=1S/C24H24O6/c1-28-21(25)18-11-9-17(10-12-18)20-15-24(22(26)29-2,23(27)30-3)14-19(20)13-16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3
InChIKeyGPCNZPKZZITYSX-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.60
Rot. Bonds6

About dimethyl 3-benzyl-4-(4-methoxycarbonylphenyl)cyclopent-3-ene-1,1-dicarboxylate

dimethyl 3-benzyl-4-(4-methoxycarbonylphenyl)cyclopent-3-ene-1,1-dicarboxylate (PubChem CID 11122399) has the molecular formula C24H24O6 and a molecular weight of 408.45 g/mol. Its IUPAC name is dimethyl 3-benzyl-4-(4-methoxycarbonylphenyl)cyclopent-3-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-benzyl-4-(4-methoxycarbonylphenyl)cyclopent-3-ene-1,1-dicarboxylate
PubChem CID11122399
Molecular FormulaC24H24O6
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Namedimethyl 3-benzyl-4-(4-methoxycarbonylphenyl)cyclopent-3-ene-1,1-dicarboxylate
SMILESCOC(=O)c1ccc(C2=C(Cc3ccccc3)CC(C(=O)OC)(C(=O)OC)C2)cc1
InChIInChI=1S/C24H24O6/c1-28-21(25)18-11-9-17(10-12-18)20-15-24(22(26)29-2,23(27)30-3)14-19(20)13-16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3
InChIKeyGPCNZPKZZITYSX-UHFFFAOYSA-N
XLogP3.60
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze dimethyl 3-benzyl-4-(4-methoxycarbonylphenyl)cyclopent-3-ene-1,1-dicarboxylate 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

iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
dimethyl 5-oxo-4,6-diphenyl-1,3-dihydropentalene-2,2-dicarboxylate
CID 11165142
methyl 2-phenylazulene-6-carboxylate
CID 23257786
methyl 4-[4-(anilinomethyl)phenyl]benzoate
CID 134537510
dimethyl (2R)-4-benzyl-3-formyl-2-phenylcyclopent-3-ene-1,1-dicarboxylate
CID 154714296
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
methyl 4-(4-phenylphenoxy)benzoate
CID 15230373
methyl 4-(2-benzyl-2-azabicyclo[2.2.1]hept-4-en-5-yl)benzoate
CID 70897394
ethane;methyl 4-[(benzylamino)methyl]benzoate
CID 144842755
methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate
CID 58748868
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-benzyl-4-(4-methoxycarbonylphenyl)cyclopent-3-ene-1,1-dicarboxylate?
The IUPAC name of dimethyl 3-benzyl-4-(4-methoxycarbonylphenyl)cyclopent-3-ene-1,1-dicarboxylate (CID 11122399) is dimethyl 3-benzyl-4-(4-methoxycarbonylphenyl)cyclopent-3-ene-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 3-benzyl-4-(4-methoxycarbonylphenyl)cyclopent-3-ene-1,1-dicarboxylate?
The canonical SMILES for dimethyl 3-benzyl-4-(4-methoxycarbonylphenyl)cyclopent-3-ene-1,1-dicarboxylate is COC(=O)c1ccc(C2=C(Cc3ccccc3)CC(C(=O)OC)(C(=O)OC)C2)cc1.
What is the InChIKey of dimethyl 3-benzyl-4-(4-methoxycarbonylphenyl)cyclopent-3-ene-1,1-dicarboxylate?
The InChIKey is GPCNZPKZZITYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O6/c1-28-21(25)18-11-9-17(10-12-18)20-15-24(22(26)29-2,23(27)30-3)14-19(20)13-16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3.
What are the key properties of dimethyl 3-benzyl-4-(4-methoxycarbonylphenyl)cyclopent-3-ene-1,1-dicarboxylate?
dimethyl 3-benzyl-4-(4-methoxycarbonylphenyl)cyclopent-3-ene-1,1-dicarboxylate has a molecular weight of 408.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-benzyl-4-(4-methoxycarbonylphenyl)cyclopent-3-ene-1,1-dicarboxylate is sourced from PubChem (CID 11122399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).