dimethyl 4-(4-methoxyphenyl)-2-phenylcyclopent-2-ene-1,1-dicarboxylate

C22H22O5 — CID 154707286

IUPACdimethyl 4-(4-methoxyphenyl)-2-phenylcyclopent-2-ene-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC(c2ccc(OC)cc2)C=C1c1ccccc1
InChIInChI=1S/C22H22O5/c1-25-18-11-9-15(10-12-18)17-13-19(16-7-5-4-6-8-16)22(14-17,20(23)26-2)21(24)27-3/h4-13,17H,14H2,1-3H3
InChIKeyOGDRYVYOMJHRJL-UHFFFAOYSA-N
MW366.41 g/mol
LogP3.60
Rot. Bonds5

About dimethyl 4-(4-methoxyphenyl)-2-phenylcyclopent-2-ene-1,1-dicarboxylate

dimethyl 4-(4-methoxyphenyl)-2-phenylcyclopent-2-ene-1,1-dicarboxylate (PubChem CID 154707286) has the molecular formula C22H22O5 and a molecular weight of 366.41 g/mol. Its IUPAC name is dimethyl 4-(4-methoxyphenyl)-2-phenylcyclopent-2-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(4-methoxyphenyl)-2-phenylcyclopent-2-ene-1,1-dicarboxylate
PubChem CID154707286
Molecular FormulaC22H22O5
Molecular Weight366.41 g/mol
Exact Mass366.15
IUPAC Namedimethyl 4-(4-methoxyphenyl)-2-phenylcyclopent-2-ene-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC(c2ccc(OC)cc2)C=C1c1ccccc1
InChIInChI=1S/C22H22O5/c1-25-18-11-9-15(10-12-18)17-13-19(16-7-5-4-6-8-16)22(14-17,20(23)26-2)21(24)27-3/h4-13,17H,14H2,1-3H3
InChIKeyOGDRYVYOMJHRJL-UHFFFAOYSA-N
XLogP3.60
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 5-(4-methoxyphenyl)-1,2-diphenyl-4-oxaspiro[2.4]hept-1-ene-7,7-dicarboxylate
CID 122399786
dimethyl 3-(4-methoxyphenyl)-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate
CID 101474665
cis-(4-methoxyphenyl) (1S,2S)-1-amino-2-phenylcyclopropane-1-carboxylate
CID 135000493
dimethyl 4-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexane-1,1-dicarboxylate
CID 67965844
dimethyl 5-oxo-2-phenylthiane-4,4-dicarboxylate
CID 132933445
methyl 2-(4-methoxyphenyl)-1-[(E)-2-methylbut-2-enoyl]cyclopropane-1-carboxylate
CID 102264444
cis-dimethyl (2S,4S)-2-cyano-4-(4-methoxyphenyl)cyclobutane-1,1-dicarboxylate
CID 10357603
trimethyl (1R,3S)-3-(4-methoxyphenyl)-3,4-dihydro-1H-anthracene-1,2,2-tricarboxylate
CID 139187578
(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
CID 95988225
(4S,5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
CID 95988226
2-(4-methoxyphenyl)bicyclo[1.1.1]pentane-1,3-dicarboxylic acid
CID 174158364
cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate
CID 101031556

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(4-methoxyphenyl)-2-phenylcyclopent-2-ene-1,1-dicarboxylate?
The IUPAC name of dimethyl 4-(4-methoxyphenyl)-2-phenylcyclopent-2-ene-1,1-dicarboxylate (CID 154707286) is dimethyl 4-(4-methoxyphenyl)-2-phenylcyclopent-2-ene-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 4-(4-methoxyphenyl)-2-phenylcyclopent-2-ene-1,1-dicarboxylate?
The canonical SMILES for dimethyl 4-(4-methoxyphenyl)-2-phenylcyclopent-2-ene-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)CC(c2ccc(OC)cc2)C=C1c1ccccc1.
What is the InChIKey of dimethyl 4-(4-methoxyphenyl)-2-phenylcyclopent-2-ene-1,1-dicarboxylate?
The InChIKey is OGDRYVYOMJHRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O5/c1-25-18-11-9-15(10-12-18)17-13-19(16-7-5-4-6-8-16)22(14-17,20(23)26-2)21(24)27-3/h4-13,17H,14H2,1-3H3.
What are the key properties of dimethyl 4-(4-methoxyphenyl)-2-phenylcyclopent-2-ene-1,1-dicarboxylate?
dimethyl 4-(4-methoxyphenyl)-2-phenylcyclopent-2-ene-1,1-dicarboxylate has a molecular weight of 366.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(4-methoxyphenyl)-2-phenylcyclopent-2-ene-1,1-dicarboxylate is sourced from PubChem (CID 154707286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).