dimethyl 4-methyl-3-phenylcyclopent-2-ene-1,1-dicarboxylate

C16H18O4 — CID 167304350

IUPACdimethyl 4-methyl-3-phenylcyclopent-2-ene-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C=C(c2ccccc2)C(C)C1
InChIInChI=1S/C16H18O4/c1-11-9-16(14(17)19-2,15(18)20-3)10-13(11)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
InChIKeyFJSXLNLFHMHHAP-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.44
Rot. Bonds3

About dimethyl 4-methyl-3-phenylcyclopent-2-ene-1,1-dicarboxylate

dimethyl 4-methyl-3-phenylcyclopent-2-ene-1,1-dicarboxylate (PubChem CID 167304350) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is dimethyl 4-methyl-3-phenylcyclopent-2-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-methyl-3-phenylcyclopent-2-ene-1,1-dicarboxylate
PubChem CID167304350
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Namedimethyl 4-methyl-3-phenylcyclopent-2-ene-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C=C(c2ccccc2)C(C)C1
InChIInChI=1S/C16H18O4/c1-11-9-16(14(17)19-2,15(18)20-3)10-13(11)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
InChIKeyFJSXLNLFHMHHAP-UHFFFAOYSA-N
XLogP2.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dimethyl 4-methyl-3-phenylcyclopent-2-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

dimethyl 3,4-dimethylcyclopent-2-ene-1,1-dicarboxylate
CID 11298806
dimethyl 3-(4-methoxycarbonylphenyl)-4-(phenylselanylmethyl)cyclopent-2-ene-1,1-dicarboxylate
CID 178069834
dimethyl 3-(3-fluorophenyl)-4-(phenylselanylmethyl)cyclopent-2-ene-1,1-dicarboxylate
CID 171750478
dimethyl 4-(phenylselanylmethyl)-3-[4-(trifluoromethyl)phenyl]cyclopent-2-ene-1,1-dicarboxylate
CID 178069840
dimethyl 3-(3-aminophenyl)-4-(phenylselanylmethyl)cyclopent-2-ene-1,1-dicarboxylate
CID 162349660
dimethyl 3-naphthalen-2-yl-4-(phenylselanylmethyl)cyclopent-2-ene-1,1-dicarboxylate
CID 171750490
dimethyl 3-(4-methoxyphenyl)-4-(methylselanylmethyl)cyclopent-2-ene-1,1-dicarboxylate
CID 178069832
dimethyl (1S,2R)-3,6-diphenylcyclohexa-3,5-diene-1,2-dicarboxylate
CID 10665399
dimethyl 5-phenylcyclohexa-2,4-diene-1,1-dicarboxylate
CID 175230851
dimethyl (6S,7aR)-7,7-dimethyl-6-phenyl-6,7a-dihydro-1H-indene-2,2-dicarboxylate
CID 101455584
tetramethyl (8aS,8bS)-4,5-diphenyl-1,3,6,8,8a,8b-hexahydro-as-indacene-2,2,7,7-tetracarboxylate
CID 135054695
dimethyl (1R,2S)-1,2-dimethyl-3,4-diphenylcyclobut-3-ene-1,2-dicarboxylate
CID 100937971

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-methyl-3-phenylcyclopent-2-ene-1,1-dicarboxylate?
The IUPAC name of dimethyl 4-methyl-3-phenylcyclopent-2-ene-1,1-dicarboxylate (CID 167304350) is dimethyl 4-methyl-3-phenylcyclopent-2-ene-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 4-methyl-3-phenylcyclopent-2-ene-1,1-dicarboxylate?
The canonical SMILES for dimethyl 4-methyl-3-phenylcyclopent-2-ene-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)C=C(c2ccccc2)C(C)C1.
What is the InChIKey of dimethyl 4-methyl-3-phenylcyclopent-2-ene-1,1-dicarboxylate?
The InChIKey is FJSXLNLFHMHHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-11-9-16(14(17)19-2,15(18)20-3)10-13(11)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3.
What are the key properties of dimethyl 4-methyl-3-phenylcyclopent-2-ene-1,1-dicarboxylate?
dimethyl 4-methyl-3-phenylcyclopent-2-ene-1,1-dicarboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-methyl-3-phenylcyclopent-2-ene-1,1-dicarboxylate is sourced from PubChem (CID 167304350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).