ethyl (1R)-2-oxo-6-phenyl-3,4-dihydro-1H-naphthalene-1-carboxylate

C19H18O3 — CID 124637729

IUPACethyl (1R)-2-oxo-6-phenyl-3,4-dihydro-1H-naphthalene-1-carboxylate
SMILESCCOC(=O)[C@H]1C(=O)CCc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C19H18O3/c1-2-22-19(21)18-16-10-8-14(13-6-4-3-5-7-13)12-15(16)9-11-17(18)20/h3-8,10,12,18H,2,9,11H2,1H3/t18-/m1/s1
InChIKeyMOBGGYBTYWSLMG-GOSISDBHSA-N
MW294.35 g/mol
LogP3.52
Rot. Bonds3

About ethyl (1R)-2-oxo-6-phenyl-3,4-dihydro-1H-naphthalene-1-carboxylate

ethyl (1R)-2-oxo-6-phenyl-3,4-dihydro-1H-naphthalene-1-carboxylate (PubChem CID 124637729) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl (1R)-2-oxo-6-phenyl-3,4-dihydro-1H-naphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R)-2-oxo-6-phenyl-3,4-dihydro-1H-naphthalene-1-carboxylate
PubChem CID124637729
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Nameethyl (1R)-2-oxo-6-phenyl-3,4-dihydro-1H-naphthalene-1-carboxylate
SMILESCCOC(=O)[C@H]1C(=O)CCc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C19H18O3/c1-2-22-19(21)18-16-10-8-14(13-6-4-3-5-7-13)12-15(16)9-11-17(18)20/h3-8,10,12,18H,2,9,11H2,1H3/t18-/m1/s1
InChIKeyMOBGGYBTYWSLMG-GOSISDBHSA-N
XLogP3.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-(1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate
CID 69264177
ethyl 6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxylate
CID 83985310
ethyl 6-(3-methylphenyl)-2-oxo-4-(4-phenylphenyl)cyclohex-3-ene-1-carboxylate
CID 11212031
benzyl 2,5-dioxocyclopentane-1-carboxylate
CID 59459130
ethyl 2-(4-oxo-6-phenylchromen-2-yl)cyclopropane-1-carboxylate
CID 21440274
ethyl 2-oxo-5-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 71200842
ethyl 4-azulen-2-ylbenzoate
CID 122206706
ethyl 4-oxocyclohexane-1-carboxylate;toluene
CID 174392547
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
5-phenyl-2,3-dihydro-1H-inden-1-ol
CID 23082740
ethyl 4-methyl-5-oxo-2-phenyl-6H-thieno[3,2-b]pyrrole-6-carboxylate
CID 101171861
ethyl 2-(4-methylphenyl)sulfonyl-7-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 10917091

Frequently Asked Questions

What is the IUPAC name of ethyl (1R)-2-oxo-6-phenyl-3,4-dihydro-1H-naphthalene-1-carboxylate?
The IUPAC name of ethyl (1R)-2-oxo-6-phenyl-3,4-dihydro-1H-naphthalene-1-carboxylate (CID 124637729) is ethyl (1R)-2-oxo-6-phenyl-3,4-dihydro-1H-naphthalene-1-carboxylate.
What is the SMILES notation for ethyl (1R)-2-oxo-6-phenyl-3,4-dihydro-1H-naphthalene-1-carboxylate?
The canonical SMILES for ethyl (1R)-2-oxo-6-phenyl-3,4-dihydro-1H-naphthalene-1-carboxylate is CCOC(=O)[C@H]1C(=O)CCc2cc(-c3ccccc3)ccc21.
What is the InChIKey of ethyl (1R)-2-oxo-6-phenyl-3,4-dihydro-1H-naphthalene-1-carboxylate?
The InChIKey is MOBGGYBTYWSLMG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18O3/c1-2-22-19(21)18-16-10-8-14(13-6-4-3-5-7-13)12-15(16)9-11-17(18)20/h3-8,10,12,18H,2,9,11H2,1H3/t18-/m1/s1.
What are the key properties of ethyl (1R)-2-oxo-6-phenyl-3,4-dihydro-1H-naphthalene-1-carboxylate?
ethyl (1R)-2-oxo-6-phenyl-3,4-dihydro-1H-naphthalene-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R)-2-oxo-6-phenyl-3,4-dihydro-1H-naphthalene-1-carboxylate is sourced from PubChem (CID 124637729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).