(8bS)-8b-hydroxy-5-methoxy-1,2,3,3a-tetrahydrocyclopenta[a]inden-4-one

C13H14O3 — CID 102510357

IUPAC(8bS)-8b-hydroxy-5-methoxy-1,2,3,3a-tetrahydrocyclopenta[a]inden-4-one
SMILESCOc1cccc2c1C(=O)C1CCC[C@@]21O
InChIInChI=1S/C13H14O3/c1-16-10-6-2-4-8-11(10)12(14)9-5-3-7-13(8,9)15/h2,4,6,9,15H,3,5,7H2,1H3/t9?,13-/m1/s1
InChIKeyGKJPZTIQESARBD-WCRCJTMVSA-N
MW218.25 g/mol
LogP1.88
Rot. Bonds1

About (8bS)-8b-hydroxy-5-methoxy-1,2,3,3a-tetrahydrocyclopenta[a]inden-4-one

(8bS)-8b-hydroxy-5-methoxy-1,2,3,3a-tetrahydrocyclopenta[a]inden-4-one (PubChem CID 102510357) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is (8bS)-8b-hydroxy-5-methoxy-1,2,3,3a-tetrahydrocyclopenta[a]inden-4-one.

Molecular Properties

Compound Name(8bS)-8b-hydroxy-5-methoxy-1,2,3,3a-tetrahydrocyclopenta[a]inden-4-one
PubChem CID102510357
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name(8bS)-8b-hydroxy-5-methoxy-1,2,3,3a-tetrahydrocyclopenta[a]inden-4-one
SMILESCOc1cccc2c1C(=O)C1CCC[C@@]21O
InChIInChI=1S/C13H14O3/c1-16-10-6-2-4-8-11(10)12(14)9-5-3-7-13(8,9)15/h2,4,6,9,15H,3,5,7H2,1H3/t9?,13-/m1/s1
InChIKeyGKJPZTIQESARBD-WCRCJTMVSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,9S,12S)-9-hydroxy-4-methoxytetracyclo[7.6.0.01,12.03,8]pentadeca-3(8),4,6-trien-2-one
CID 102510368
(7aR,10aR)-10a-hydroxy-7a,8,9,10-tetrahydrocyclopenta[a]phenalen-7-one
CID 10823837
2-methoxy-1-(2-methoxyphenyl)cyclohexan-1-ol
CID 106873696
1-(2-methoxyphenyl)-4-methylcyclohexan-1-ol
CID 60794785
(4aS,9aR)-4a,9a-dihydroxy-5-methoxy-1,2,3,4-tetrahydroanthracene-9,10-dione
CID 134962885
1-(2-fluoro-3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol
CID 82805530
1-(2,6-dimethoxyphenyl)-2-ethylcyclohexan-1-ol
CID 116809729
2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol
CID 18974540
7-(2,3-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol
CID 79331887
2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 18974539
1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 65090264
1-(2-amino-3-methoxyphenyl)cyclopentan-1-ol
CID 117104185

Frequently Asked Questions

What is the IUPAC name of (8bS)-8b-hydroxy-5-methoxy-1,2,3,3a-tetrahydrocyclopenta[a]inden-4-one?
The IUPAC name of (8bS)-8b-hydroxy-5-methoxy-1,2,3,3a-tetrahydrocyclopenta[a]inden-4-one (CID 102510357) is (8bS)-8b-hydroxy-5-methoxy-1,2,3,3a-tetrahydrocyclopenta[a]inden-4-one.
What is the SMILES notation for (8bS)-8b-hydroxy-5-methoxy-1,2,3,3a-tetrahydrocyclopenta[a]inden-4-one?
The canonical SMILES for (8bS)-8b-hydroxy-5-methoxy-1,2,3,3a-tetrahydrocyclopenta[a]inden-4-one is COc1cccc2c1C(=O)C1CCC[C@@]21O.
What is the InChIKey of (8bS)-8b-hydroxy-5-methoxy-1,2,3,3a-tetrahydrocyclopenta[a]inden-4-one?
The InChIKey is GKJPZTIQESARBD-WCRCJTMVSA-N. The full InChI is InChI=1S/C13H14O3/c1-16-10-6-2-4-8-11(10)12(14)9-5-3-7-13(8,9)15/h2,4,6,9,15H,3,5,7H2,1H3/t9?,13-/m1/s1.
What are the key properties of (8bS)-8b-hydroxy-5-methoxy-1,2,3,3a-tetrahydrocyclopenta[a]inden-4-one?
(8bS)-8b-hydroxy-5-methoxy-1,2,3,3a-tetrahydrocyclopenta[a]inden-4-one has a molecular weight of 218.25 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8bS)-8b-hydroxy-5-methoxy-1,2,3,3a-tetrahydrocyclopenta[a]inden-4-one is sourced from PubChem (CID 102510357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).