(3aR,8bR)-8b-hydroxy-3a-phenyl-3H-cyclopenta[b]inden-4-one

C18H14O2 — CID 155932046

IUPAC(3aR,8bR)-8b-hydroxy-3a-phenyl-3H-cyclopenta[b]inden-4-one
SMILESO=C1c2ccccc2[C@]2(O)C=CC[C@]12c1ccccc1
InChIInChI=1S/C18H14O2/c19-16-14-9-4-5-10-15(14)18(20)12-6-11-17(16,18)13-7-2-1-3-8-13/h1-10,12,20H,11H2/t17-,18+/m0/s1
InChIKeyFHIJMGFGYNVHRC-ZWKOTPCHSA-N
MW262.31 g/mol
LogP2.97
Rot. Bonds1

About (3aR,8bR)-8b-hydroxy-3a-phenyl-3H-cyclopenta[b]inden-4-one

(3aR,8bR)-8b-hydroxy-3a-phenyl-3H-cyclopenta[b]inden-4-one (PubChem CID 155932046) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (3aR,8bR)-8b-hydroxy-3a-phenyl-3H-cyclopenta[b]inden-4-one.

Molecular Properties

Compound Name(3aR,8bR)-8b-hydroxy-3a-phenyl-3H-cyclopenta[b]inden-4-one
PubChem CID155932046
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name(3aR,8bR)-8b-hydroxy-3a-phenyl-3H-cyclopenta[b]inden-4-one
SMILESO=C1c2ccccc2[C@]2(O)C=CC[C@]12c1ccccc1
InChIInChI=1S/C18H14O2/c19-16-14-9-4-5-10-15(14)18(20)12-6-11-17(16,18)13-7-2-1-3-8-13/h1-10,12,20H,11H2/t17-,18+/m0/s1
InChIKeyFHIJMGFGYNVHRC-ZWKOTPCHSA-N
XLogP2.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Hydrindantin dihydrate
CID 22232
9-oxo-9H-fluorenecarboxylic acid
CID 74083
2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione
CID 3035279
3-hydroxy-2-(phenylcarbonyl)-1H-inden-1-one
CID 341820
(2R,2'S)-2,2',3,3,3',3'-hexahydroxy-2,2',3,3'-tetrahydro-1H,1'H-2,2'-biindene-1,1'-dione
CID 1551234
1-[9-Hydroxy-9-(trifluoromethyl)fluoren-4-yl]ethanone
CID 59492519
Benzoic acid, 4-((2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)acetyl)-
CID 3054052
3-Hydroxy-1-indanone
CID 176448
6b,7-Dihydro-6b-hydroxy-1,6,7,9-tetramethyl-8H-cyclopent[a]acenaphthylen-8-one
CID 393209
PHENINDIONE_met001
CID 74966460
3-oxospiro[1H-indene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid
CID 384728
7-Oxospiro[1,2,3,5-tetrahydro-s-indacene-6,2'-1,3-dihydroindene]-5'-carboxylic acid
CID 384737

Frequently Asked Questions

What is the IUPAC name of (3aR,8bR)-8b-hydroxy-3a-phenyl-3H-cyclopenta[b]inden-4-one?
The IUPAC name of (3aR,8bR)-8b-hydroxy-3a-phenyl-3H-cyclopenta[b]inden-4-one (CID 155932046) is (3aR,8bR)-8b-hydroxy-3a-phenyl-3H-cyclopenta[b]inden-4-one.
What is the SMILES notation for (3aR,8bR)-8b-hydroxy-3a-phenyl-3H-cyclopenta[b]inden-4-one?
The canonical SMILES for (3aR,8bR)-8b-hydroxy-3a-phenyl-3H-cyclopenta[b]inden-4-one is O=C1c2ccccc2[C@]2(O)C=CC[C@]12c1ccccc1.
What is the InChIKey of (3aR,8bR)-8b-hydroxy-3a-phenyl-3H-cyclopenta[b]inden-4-one?
The InChIKey is FHIJMGFGYNVHRC-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H14O2/c19-16-14-9-4-5-10-15(14)18(20)12-6-11-17(16,18)13-7-2-1-3-8-13/h1-10,12,20H,11H2/t17-,18+/m0/s1.
What are the key properties of (3aR,8bR)-8b-hydroxy-3a-phenyl-3H-cyclopenta[b]inden-4-one?
(3aR,8bR)-8b-hydroxy-3a-phenyl-3H-cyclopenta[b]inden-4-one has a molecular weight of 262.31 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bR)-8b-hydroxy-3a-phenyl-3H-cyclopenta[b]inden-4-one is sourced from PubChem (CID 155932046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).