dimethyl 2,2-dimethoxy-10'-oxospiro[furan-5,9'-phenanthrene]-3,4-dicarboxylate

C23H20O8 — CID 11669026

IUPACdimethyl 2,2-dimethoxy-10'-oxospiro[furan-5,9'-phenanthrene]-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(OC1(OC)OC)C(=O)c1ccccc1-c1ccccc12
InChIInChI=1S/C23H20O8/c1-27-20(25)17-18(21(26)28-2)23(29-3,30-4)31-22(17)16-12-8-7-10-14(16)13-9-5-6-11-15(13)19(22)24/h5-12H,1-4H3
InChIKeyXNISBTCYZDVJHS-UHFFFAOYSA-N
MW424.41 g/mol
LogP2.36
Rot. Bonds4

About dimethyl 2,2-dimethoxy-10'-oxospiro[furan-5,9'-phenanthrene]-3,4-dicarboxylate

dimethyl 2,2-dimethoxy-10'-oxospiro[furan-5,9'-phenanthrene]-3,4-dicarboxylate (PubChem CID 11669026) has the molecular formula C23H20O8 and a molecular weight of 424.41 g/mol. Its IUPAC name is dimethyl 2,2-dimethoxy-10'-oxospiro[furan-5,9'-phenanthrene]-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,2-dimethoxy-10'-oxospiro[furan-5,9'-phenanthrene]-3,4-dicarboxylate
PubChem CID11669026
Molecular FormulaC23H20O8
Molecular Weight424.41 g/mol
Exact Mass424.12
IUPAC Namedimethyl 2,2-dimethoxy-10'-oxospiro[furan-5,9'-phenanthrene]-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(OC1(OC)OC)C(=O)c1ccccc1-c1ccccc12
InChIInChI=1S/C23H20O8/c1-27-20(25)17-18(21(26)28-2)23(29-3,30-4)31-22(17)16-12-8-7-10-14(16)13-9-5-6-11-15(13)19(22)24/h5-12H,1-4H3
InChIKeyXNISBTCYZDVJHS-UHFFFAOYSA-N
XLogP2.36
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(9-hydroxy-10-oxophenanthren-9-yl)acetate
CID 12454672
Tert-butyl 2-(9-hydroxy-10-oxophenanthren-9-yl)acetate
CID 129730354
3'-(4-Methylphenyl)-3,4-dihydro-1h-spiro[naphthalene-2,2'-oxiran]-1-one
CID 287825
4,4-dimethyl-3'-phenylspiro[3H-naphthalene-2,2'-oxirane]-1-one
CID 314722
Benzyl 2-(9-hydroxy-10-oxophenanthren-9-yl)acetate
CID 163088003
(2S,3'R)-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 6932260
1a-(4-acetylphenyl)-7aH-naphtho[2,3-b]oxirene-2,7-dione
CID 90667526
Dimethyl 2-(4-fluorobenzoyl)-2-(4-fluorophenyl)-5,5-dimethoxyfuran-3,4-dicarboxylate
CID 11554432
[(6R,7S)-6-acetyloxy-7-(2-acetyloxypropan-2-yl)-4-(methoxymethyl)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methyl acetate
CID 162820246
[(2R,3S)-3-(2-acetyloxypropan-2-yl)-8-(methoxymethyl)-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl] acetate
CID 162820358
3'-Phenyl-3,4-dihydro-1h-spiro[naphthalene-2,2'-oxiran]-1-one
CID 2777367
3'-(2-Methylphenyl)spiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 21564983

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,2-dimethoxy-10'-oxospiro[furan-5,9'-phenanthrene]-3,4-dicarboxylate?
The IUPAC name of dimethyl 2,2-dimethoxy-10'-oxospiro[furan-5,9'-phenanthrene]-3,4-dicarboxylate (CID 11669026) is dimethyl 2,2-dimethoxy-10'-oxospiro[furan-5,9'-phenanthrene]-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2,2-dimethoxy-10'-oxospiro[furan-5,9'-phenanthrene]-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2,2-dimethoxy-10'-oxospiro[furan-5,9'-phenanthrene]-3,4-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2(OC1(OC)OC)C(=O)c1ccccc1-c1ccccc12.
What is the InChIKey of dimethyl 2,2-dimethoxy-10'-oxospiro[furan-5,9'-phenanthrene]-3,4-dicarboxylate?
The InChIKey is XNISBTCYZDVJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O8/c1-27-20(25)17-18(21(26)28-2)23(29-3,30-4)31-22(17)16-12-8-7-10-14(16)13-9-5-6-11-15(13)19(22)24/h5-12H,1-4H3.
What are the key properties of dimethyl 2,2-dimethoxy-10'-oxospiro[furan-5,9'-phenanthrene]-3,4-dicarboxylate?
dimethyl 2,2-dimethoxy-10'-oxospiro[furan-5,9'-phenanthrene]-3,4-dicarboxylate has a molecular weight of 424.41 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,2-dimethoxy-10'-oxospiro[furan-5,9'-phenanthrene]-3,4-dicarboxylate is sourced from PubChem (CID 11669026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).