diethyl (4Z)-4-benzylidene-1,3-dihydronaphthalene-2,2-dicarboxylate

C23H24O4 — CID 14713456

IUPACdiethyl (4Z)-4-benzylidene-1,3-dihydronaphthalene-2,2-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C/C(=C/c2ccccc2)c2ccccc2C1
InChIInChI=1S/C23H24O4/c1-3-26-21(24)23(22(25)27-4-2)15-18-12-8-9-13-20(18)19(16-23)14-17-10-6-5-7-11-17/h5-14H,3-4,15-16H2,1-2H3/b19-14-
InChIKeyAHOUXLZHLGAGOK-RGEXLXHISA-N
MW364.44 g/mol
LogP4.29
Rot. Bonds5

About diethyl (4Z)-4-benzylidene-1,3-dihydronaphthalene-2,2-dicarboxylate

diethyl (4Z)-4-benzylidene-1,3-dihydronaphthalene-2,2-dicarboxylate (PubChem CID 14713456) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is diethyl (4Z)-4-benzylidene-1,3-dihydronaphthalene-2,2-dicarboxylate.

Molecular Properties

Compound Namediethyl (4Z)-4-benzylidene-1,3-dihydronaphthalene-2,2-dicarboxylate
PubChem CID14713456
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Namediethyl (4Z)-4-benzylidene-1,3-dihydronaphthalene-2,2-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C/C(=C/c2ccccc2)c2ccccc2C1
InChIInChI=1S/C23H24O4/c1-3-26-21(24)23(22(25)27-4-2)15-18-12-8-9-13-20(18)19(16-23)14-17-10-6-5-7-11-17/h5-14H,3-4,15-16H2,1-2H3/b19-14-
InChIKeyAHOUXLZHLGAGOK-RGEXLXHISA-N
XLogP4.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl (3Z,4E)-3-benzylidene-4-(1-deuterioethylidene)cyclopentane-1,1-dicarboxylate
CID 46210382
diethyl 5-benzylidene-1,3-dihydropentalene-2,2-dicarboxylate
CID 10871472
diethyl (3E)-3-benzylidene-4-methylcyclopentane-1,1-dicarboxylate
CID 134941037
ethyl (2Z)-2-(2,3-dihydroinden-1-ylidene)acetate
CID 23288817
diethyl 6-bromo-1,3-dihydrophenalene-2,2-dicarboxylate
CID 70405514
hexaethyl tetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene-3,3,11,11,19,19-hexacarboxylate
CID 15782308
diethyl (3Z)-3-[(2-formylphenyl)methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 102275271
1-[(3E,4E)-1-acetyl-3,4-dibenzylidenecyclopentyl]ethanone
CID 71770734
diethyl (3E)-3-[(2-methoxyphenyl)methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 177457802
diethyl 3,5-dihydro-1H-cyclopropa[f]indene-4,4-dicarboxylate
CID 15641549
diethyl 4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate
CID 15814402
ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
CID 118559917

Frequently Asked Questions

What is the IUPAC name of diethyl (4Z)-4-benzylidene-1,3-dihydronaphthalene-2,2-dicarboxylate?
The IUPAC name of diethyl (4Z)-4-benzylidene-1,3-dihydronaphthalene-2,2-dicarboxylate (CID 14713456) is diethyl (4Z)-4-benzylidene-1,3-dihydronaphthalene-2,2-dicarboxylate.
What is the SMILES notation for diethyl (4Z)-4-benzylidene-1,3-dihydronaphthalene-2,2-dicarboxylate?
The canonical SMILES for diethyl (4Z)-4-benzylidene-1,3-dihydronaphthalene-2,2-dicarboxylate is CCOC(=O)C1(C(=O)OCC)C/C(=C/c2ccccc2)c2ccccc2C1.
What is the InChIKey of diethyl (4Z)-4-benzylidene-1,3-dihydronaphthalene-2,2-dicarboxylate?
The InChIKey is AHOUXLZHLGAGOK-RGEXLXHISA-N. The full InChI is InChI=1S/C23H24O4/c1-3-26-21(24)23(22(25)27-4-2)15-18-12-8-9-13-20(18)19(16-23)14-17-10-6-5-7-11-17/h5-14H,3-4,15-16H2,1-2H3/b19-14-.
What are the key properties of diethyl (4Z)-4-benzylidene-1,3-dihydronaphthalene-2,2-dicarboxylate?
diethyl (4Z)-4-benzylidene-1,3-dihydronaphthalene-2,2-dicarboxylate has a molecular weight of 364.44 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4Z)-4-benzylidene-1,3-dihydronaphthalene-2,2-dicarboxylate is sourced from PubChem (CID 14713456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).