(1R,2S,5S,7S)-2-hydroxy-7-phenylbicyclo[3.2.0]heptan-6-one

C13H14O2 — CID 14284850

IUPAC(1R,2S,5S,7S)-2-hydroxy-7-phenylbicyclo[3.2.0]heptan-6-one
SMILESO=C1[C@H]2CC[C@H](O)[C@H]2[C@H]1c1ccccc1
InChIInChI=1S/C13H14O2/c14-10-7-6-9-12(10)11(13(9)15)8-4-2-1-3-5-8/h1-5,9-12,14H,6-7H2/t9-,10-,11+,12-/m0/s1
InChIKeyITSQTFKABRIVDX-YFKTTZPYSA-N
MW202.25 g/mol
LogP1.74
Rot. Bonds1

About (1R,2S,5S,7S)-2-hydroxy-7-phenylbicyclo[3.2.0]heptan-6-one

(1R,2S,5S,7S)-2-hydroxy-7-phenylbicyclo[3.2.0]heptan-6-one (PubChem CID 14284850) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (1R,2S,5S,7S)-2-hydroxy-7-phenylbicyclo[3.2.0]heptan-6-one.

Molecular Properties

Compound Name(1R,2S,5S,7S)-2-hydroxy-7-phenylbicyclo[3.2.0]heptan-6-one
PubChem CID14284850
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(1R,2S,5S,7S)-2-hydroxy-7-phenylbicyclo[3.2.0]heptan-6-one
SMILESO=C1[C@H]2CC[C@H](O)[C@H]2[C@H]1c1ccccc1
InChIInChI=1S/C13H14O2/c14-10-7-6-9-12(10)11(13(9)15)8-4-2-1-3-5-8/h1-5,9-12,14H,6-7H2/t9-,10-,11+,12-/m0/s1
InChIKeyITSQTFKABRIVDX-YFKTTZPYSA-N
XLogP1.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 98598015
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CID 124792855
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CID 91570017
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CID 98624727
(9S,11S)-9,11-diphenyltetracyclo[6.3.1.13,6.02,7]tridec-2(7)-en-10-one
CID 117069734
(1S,2S,4R)-2-phenylbicyclo[2.2.1]heptan-7-one
CID 10607594
3-hydroxy-2-phenyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one
CID 134693339
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CID 10609515
3-bromo-7,9-diphenyl-1,2,3,3a,4,5,6,6a,6b,7,9,9a,9b,9c-tetradecahydrocyclopenta[a]acenaphthylen-8-one
CID 91092421
(1R,2R,4S,5S)-2,4-diphenylbicyclo[3.2.1]oct-6-en-3-one
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(3S,4R)-3,4-diphenyloxan-2-one
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cis-(1R,2S)-3-methylidene-2-phenylcyclopentan-1-ol
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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,7S)-2-hydroxy-7-phenylbicyclo[3.2.0]heptan-6-one?
The IUPAC name of (1R,2S,5S,7S)-2-hydroxy-7-phenylbicyclo[3.2.0]heptan-6-one (CID 14284850) is (1R,2S,5S,7S)-2-hydroxy-7-phenylbicyclo[3.2.0]heptan-6-one.
What is the SMILES notation for (1R,2S,5S,7S)-2-hydroxy-7-phenylbicyclo[3.2.0]heptan-6-one?
The canonical SMILES for (1R,2S,5S,7S)-2-hydroxy-7-phenylbicyclo[3.2.0]heptan-6-one is O=C1[C@H]2CC[C@H](O)[C@H]2[C@H]1c1ccccc1.
What is the InChIKey of (1R,2S,5S,7S)-2-hydroxy-7-phenylbicyclo[3.2.0]heptan-6-one?
The InChIKey is ITSQTFKABRIVDX-YFKTTZPYSA-N. The full InChI is InChI=1S/C13H14O2/c14-10-7-6-9-12(10)11(13(9)15)8-4-2-1-3-5-8/h1-5,9-12,14H,6-7H2/t9-,10-,11+,12-/m0/s1.
What are the key properties of (1R,2S,5S,7S)-2-hydroxy-7-phenylbicyclo[3.2.0]heptan-6-one?
(1R,2S,5S,7S)-2-hydroxy-7-phenylbicyclo[3.2.0]heptan-6-one has a molecular weight of 202.25 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,7S)-2-hydroxy-7-phenylbicyclo[3.2.0]heptan-6-one is sourced from PubChem (CID 14284850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).