(11'S,15'R,16'S)-16'-hydroxyspiro[3,4-dihydronaphthalene-1,12'-tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaene]-2,13'-dione

C25H20O3 — CID 101371319

IUPAC(11'S,15'R,16'S)-16'-hydroxyspiro[3,4-dihydronaphthalene-1,12'-tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaene]-2,13'-dione
SMILESO=C1CCc2ccccc2C12C(=O)C[C@H]1[C@H](O)c3cc4ccccc4cc3[C@H]12
InChIInChI=1S/C25H20O3/c26-21-10-9-14-5-3-4-8-20(14)25(21)22(27)13-19-23(25)17-11-15-6-1-2-7-16(15)12-18(17)24(19)28/h1-8,11-12,19,23-24,28H,9-10,13H2/t19-,23-,24-,25?/m1/s1
InChIKeyLOKBOZDXYZCPKU-WJOYXYSLSA-N
MW368.43 g/mol
LogP4.01
Rot. Bonds

About (11'S,15'R,16'S)-16'-hydroxyspiro[3,4-dihydronaphthalene-1,12'-tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaene]-2,13'-dione

(11'S,15'R,16'S)-16'-hydroxyspiro[3,4-dihydronaphthalene-1,12'-tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaene]-2,13'-dione (PubChem CID 101371319) has the molecular formula C25H20O3 and a molecular weight of 368.43 g/mol. Its IUPAC name is (11'S,15'R,16'S)-16'-hydroxyspiro[3,4-dihydronaphthalene-1,12'-tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaene]-2,13'-dione.

Molecular Properties

Compound Name(11'S,15'R,16'S)-16'-hydroxyspiro[3,4-dihydronaphthalene-1,12'-tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaene]-2,13'-dione
PubChem CID101371319
Molecular FormulaC25H20O3
Molecular Weight368.43 g/mol
Exact Mass368.14
IUPAC Name(11'S,15'R,16'S)-16'-hydroxyspiro[3,4-dihydronaphthalene-1,12'-tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaene]-2,13'-dione
SMILESO=C1CCc2ccccc2C12C(=O)C[C@H]1[C@H](O)c3cc4ccccc4cc3[C@H]12
InChIInChI=1S/C25H20O3/c26-21-10-9-14-5-3-4-8-20(14)25(21)22(27)13-19-23(25)17-11-15-6-1-2-7-16(15)12-18(17)24(19)28/h1-8,11-12,19,23-24,28H,9-10,13H2/t19-,23-,24-,25?/m1/s1
InChIKeyLOKBOZDXYZCPKU-WJOYXYSLSA-N
XLogP4.01
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (11'S,15'R,16'S)-16'-hydroxyspiro[3,4-dihydronaphthalene-1,12'-tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaene]-2,13'-dione with MolForge

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Related Compounds

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CID 70509691
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CID 174638645
1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-2,3-dihydroinden-1-ol
CID 57183104
(3aS,9bR)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-one
CID 102092616
(1S,2R,4R,5R,16S,17S,19S,20R)-1,5,16,20-tetraphenyl-31,32-dioxanonacyclo[18.10.1.15,16.02,19.04,17.06,15.08,13.021,30.023,28]dotriaconta-6,8,10,12,14,21,23,25,27,29-decaene-3,18-dione
CID 102353746
1-methyl-1-(2-methylphenyl)-3,4-dihydronaphthalen-2-one
CID 164527986
1,2,2a,3,8,8a-hexahydrocyclobuta[b]naphthalen-3-ol
CID 130142398
spiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ol
CID 71263398
1-(1,2,3,4-tetrahydroanthracen-2-yl)-1,2,3,4-tetrahydroanthracene
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Frequently Asked Questions

What is the IUPAC name of (11'S,15'R,16'S)-16'-hydroxyspiro[3,4-dihydronaphthalene-1,12'-tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaene]-2,13'-dione?
The IUPAC name of (11'S,15'R,16'S)-16'-hydroxyspiro[3,4-dihydronaphthalene-1,12'-tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaene]-2,13'-dione (CID 101371319) is (11'S,15'R,16'S)-16'-hydroxyspiro[3,4-dihydronaphthalene-1,12'-tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaene]-2,13'-dione.
What is the SMILES notation for (11'S,15'R,16'S)-16'-hydroxyspiro[3,4-dihydronaphthalene-1,12'-tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaene]-2,13'-dione?
The canonical SMILES for (11'S,15'R,16'S)-16'-hydroxyspiro[3,4-dihydronaphthalene-1,12'-tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaene]-2,13'-dione is O=C1CCc2ccccc2C12C(=O)C[C@H]1[C@H](O)c3cc4ccccc4cc3[C@H]12.
What is the InChIKey of (11'S,15'R,16'S)-16'-hydroxyspiro[3,4-dihydronaphthalene-1,12'-tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaene]-2,13'-dione?
The InChIKey is LOKBOZDXYZCPKU-WJOYXYSLSA-N. The full InChI is InChI=1S/C25H20O3/c26-21-10-9-14-5-3-4-8-20(14)25(21)22(27)13-19-23(25)17-11-15-6-1-2-7-16(15)12-18(17)24(19)28/h1-8,11-12,19,23-24,28H,9-10,13H2/t19-,23-,24-,25?/m1/s1.
What are the key properties of (11'S,15'R,16'S)-16'-hydroxyspiro[3,4-dihydronaphthalene-1,12'-tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaene]-2,13'-dione?
(11'S,15'R,16'S)-16'-hydroxyspiro[3,4-dihydronaphthalene-1,12'-tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaene]-2,13'-dione has a molecular weight of 368.43 g/mol, XLogP of 4.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11'S,15'R,16'S)-16'-hydroxyspiro[3,4-dihydronaphthalene-1,12'-tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaene]-2,13'-dione is sourced from PubChem (CID 101371319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).