ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate

C20H20O3 — CID 143660041

IUPACethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate
SMILESCCOC(=O)C1CCC(C=O)(c2ccccc2)c2ccccc21
InChIInChI=1S/C20H20O3/c1-2-23-19(22)17-12-13-20(14-21,15-8-4-3-5-9-15)18-11-7-6-10-16(17)18/h3-11,14,17H,2,12-13H2,1H3
InChIKeyZPXZOBMGZJPVTH-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.61
Rot. Bonds4

About ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate

ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate (PubChem CID 143660041) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate
PubChem CID143660041
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Nameethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate
SMILESCCOC(=O)C1CCC(C=O)(c2ccccc2)c2ccccc21
InChIInChI=1S/C20H20O3/c1-2-23-19(22)17-12-13-20(14-21,15-8-4-3-5-9-15)18-11-7-6-10-16(17)18/h3-11,14,17H,2,12-13H2,1H3
InChIKeyZPXZOBMGZJPVTH-UHFFFAOYSA-N
XLogP3.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate?
The IUPAC name of ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate (CID 143660041) is ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate.
What is the SMILES notation for ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate?
The canonical SMILES for ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate is CCOC(=O)C1CCC(C=O)(c2ccccc2)c2ccccc21.
What is the InChIKey of ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate?
The InChIKey is ZPXZOBMGZJPVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-2-23-19(22)17-12-13-20(14-21,15-8-4-3-5-9-15)18-11-7-6-10-16(17)18/h3-11,14,17H,2,12-13H2,1H3.
What are the key properties of ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate?
ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate is sourced from PubChem (CID 143660041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).