ethyl 8'-methoxy-4'-oxospiro[cyclopropane-2,1'-naphthalene]-1-carboxylate

C16H16O4 — CID 102304288

IUPACethyl 8'-methoxy-4'-oxospiro[cyclopropane-2,1'-naphthalene]-1-carboxylate
SMILESCCOC(=O)C1CC12C=CC(=O)c1cccc(OC)c12
InChIInChI=1S/C16H16O4/c1-3-20-15(18)11-9-16(11)8-7-12(17)10-5-4-6-13(19-2)14(10)16/h4-8,11H,3,9H2,1-2H3
InChIKeySQPCWAVBTIXTAO-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.27
Rot. Bonds3

About ethyl 8'-methoxy-4'-oxospiro[cyclopropane-2,1'-naphthalene]-1-carboxylate

ethyl 8'-methoxy-4'-oxospiro[cyclopropane-2,1'-naphthalene]-1-carboxylate (PubChem CID 102304288) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl 8'-methoxy-4'-oxospiro[cyclopropane-2,1'-naphthalene]-1-carboxylate.

Molecular Properties

Compound Nameethyl 8'-methoxy-4'-oxospiro[cyclopropane-2,1'-naphthalene]-1-carboxylate
PubChem CID102304288
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Nameethyl 8'-methoxy-4'-oxospiro[cyclopropane-2,1'-naphthalene]-1-carboxylate
SMILESCCOC(=O)C1CC12C=CC(=O)c1cccc(OC)c12
InChIInChI=1S/C16H16O4/c1-3-20-15(18)11-9-16(11)8-7-12(17)10-5-4-6-13(19-2)14(10)16/h4-8,11H,3,9H2,1-2H3
InChIKeySQPCWAVBTIXTAO-UHFFFAOYSA-N
XLogP2.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl (1R,6R)-4-(2-methoxyphenyl)-6-(3-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate
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diethyl (6R,8S)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulene-6,8-dicarboxylate
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ethyl (3R,4S)-4-(2-methoxyphenyl)-2,6-dioxopiperidine-3-carboxylate
CID 70454520
ethyl 2-hydroxy-7-methoxy-3-oxo-1H-indene-2-carboxylate
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ethyl (1S,6R)-6-(4-fluorophenyl)-4-(2-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 99801496
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Frequently Asked Questions

What is the IUPAC name of ethyl 8'-methoxy-4'-oxospiro[cyclopropane-2,1'-naphthalene]-1-carboxylate?
The IUPAC name of ethyl 8'-methoxy-4'-oxospiro[cyclopropane-2,1'-naphthalene]-1-carboxylate (CID 102304288) is ethyl 8'-methoxy-4'-oxospiro[cyclopropane-2,1'-naphthalene]-1-carboxylate.
What is the SMILES notation for ethyl 8'-methoxy-4'-oxospiro[cyclopropane-2,1'-naphthalene]-1-carboxylate?
The canonical SMILES for ethyl 8'-methoxy-4'-oxospiro[cyclopropane-2,1'-naphthalene]-1-carboxylate is CCOC(=O)C1CC12C=CC(=O)c1cccc(OC)c12.
What is the InChIKey of ethyl 8'-methoxy-4'-oxospiro[cyclopropane-2,1'-naphthalene]-1-carboxylate?
The InChIKey is SQPCWAVBTIXTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-3-20-15(18)11-9-16(11)8-7-12(17)10-5-4-6-13(19-2)14(10)16/h4-8,11H,3,9H2,1-2H3.
What are the key properties of ethyl 8'-methoxy-4'-oxospiro[cyclopropane-2,1'-naphthalene]-1-carboxylate?
ethyl 8'-methoxy-4'-oxospiro[cyclopropane-2,1'-naphthalene]-1-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8'-methoxy-4'-oxospiro[cyclopropane-2,1'-naphthalene]-1-carboxylate is sourced from PubChem (CID 102304288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).