8'-methoxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-naphthalene]-1'-one

C21H14O4 — CID 10925545

IUPAC8'-methoxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-naphthalene]-1'-one
SMILESCOc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(c23)O1
InChIInChI=1S/C21H14O4/c1-23-16-8-4-7-14-20(16)15(22)11-12-21(14)24-17-9-2-5-13-6-3-10-18(25-21)19(13)17/h2-12H,1H3
InChIKeyBTFOPQGSEJOODQ-UHFFFAOYSA-N
MW330.34 g/mol
LogP4.23
Rot. Bonds1

About 8'-methoxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-naphthalene]-1'-one

8'-methoxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-naphthalene]-1'-one (PubChem CID 10925545) has the molecular formula C21H14O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 8'-methoxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-naphthalene]-1'-one.

Molecular Properties

Compound Name8'-methoxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-naphthalene]-1'-one
PubChem CID10925545
Molecular FormulaC21H14O4
Molecular Weight330.34 g/mol
Exact Mass330.09
IUPAC Name8'-methoxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-naphthalene]-1'-one
SMILESCOc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(c23)O1
InChIInChI=1S/C21H14O4/c1-23-16-8-4-7-14-20(16)15(22)11-12-21(14)24-17-9-2-5-13-6-3-10-18(25-21)19(13)17/h2-12H,1H3
InChIKeyBTFOPQGSEJOODQ-UHFFFAOYSA-N
XLogP4.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8'-methoxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-naphthalene]-1'-one with MolForge

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Related Compounds

methane;8-methoxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-3,4'-naphthalene]-1'-one;(4'-oxospiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-3,1'-naphthalene]-8-yl) 2-aminoacetate
CID 159698289
7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-benzo[h]chromene]
CID 631792
(1R,11R,18S)-6-methoxy-18-(methoxymethoxy)-2,12,21-trioxahexacyclo[9.9.1.11,13.13,7.011,23.017,22]tricosa-3(23),4,6,9,13,15,17(22)-heptaen-8-one
CID 11441177
(1'aR,2'R,7'aR)-3'-methoxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,7'-2,7a-dihydro-1aH-naphtho[2,3-b]oxirene]-2'-ol
CID 10545650
8'-[(E)-but-2-enoxy]spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-5,6,7,8-tetrahydronaphthalene]-1'-one
CID 101086226
5-methoxy-2,2-dimethyl-3H-chromen-4-one
CID 11790374
8'-hydroxyspiro[1,3-dioxolane-2,4'-naphthalene]-1'-one
CID 10036320
1'-methoxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,6'-9-oxatricyclo[6.2.2.02,7]dodeca-4,11-diene]-3',10'-dione
CID 102008797
CID 132600298
CID 132600298
3-hexyl-3,7-dimethoxy-2-benzofuran-1-one
CID 10516726
(9bS)-6-methoxy-9b-methyl-10,11-dihydro-3H-naphtho[2,1-e][2]benzofuran-1,5-dione
CID 73332891
(4-hydroxy-8-oxospiro[1,4,4a,8a-tetrahydronaphthalene-5,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1-yl) acetate
CID 162848349

Frequently Asked Questions

What is the IUPAC name of 8'-methoxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-naphthalene]-1'-one?
The IUPAC name of 8'-methoxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-naphthalene]-1'-one (CID 10925545) is 8'-methoxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-naphthalene]-1'-one.
What is the SMILES notation for 8'-methoxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-naphthalene]-1'-one?
The canonical SMILES for 8'-methoxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-naphthalene]-1'-one is COc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(c23)O1.
What is the InChIKey of 8'-methoxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-naphthalene]-1'-one?
The InChIKey is BTFOPQGSEJOODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O4/c1-23-16-8-4-7-14-20(16)15(22)11-12-21(14)24-17-9-2-5-13-6-3-10-18(25-21)19(13)17/h2-12H,1H3.
What are the key properties of 8'-methoxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-naphthalene]-1'-one?
8'-methoxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-naphthalene]-1'-one has a molecular weight of 330.34 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-methoxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-naphthalene]-1'-one is sourced from PubChem (CID 10925545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).