(2S,5R,10S)-10-hydroxy-2-phenylspiro[4.5]decane-4,9-dione

C16H18O3 — CID 139254967

IUPAC(2S,5R,10S)-10-hydroxy-2-phenylspiro[4.5]decane-4,9-dione
SMILESO=C1CCC[C@@]2(C[C@H](c3ccccc3)CC2=O)[C@@H]1O
InChIInChI=1S/C16H18O3/c17-13-7-4-8-16(15(13)19)10-12(9-14(16)18)11-5-2-1-3-6-11/h1-3,5-6,12,15,19H,4,7-10H2/t12-,15-,16+/m1/s1
InChIKeyBAHIRSTYRGDKLR-WQVCFCJDSA-N
MW258.32 g/mol
LogP2.23
Rot. Bonds1

About (2S,5R,10S)-10-hydroxy-2-phenylspiro[4.5]decane-4,9-dione

(2S,5R,10S)-10-hydroxy-2-phenylspiro[4.5]decane-4,9-dione (PubChem CID 139254967) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S,5R,10S)-10-hydroxy-2-phenylspiro[4.5]decane-4,9-dione.

Molecular Properties

Compound Name(2S,5R,10S)-10-hydroxy-2-phenylspiro[4.5]decane-4,9-dione
PubChem CID139254967
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name(2S,5R,10S)-10-hydroxy-2-phenylspiro[4.5]decane-4,9-dione
SMILESO=C1CCC[C@@]2(C[C@H](c3ccccc3)CC2=O)[C@@H]1O
InChIInChI=1S/C16H18O3/c17-13-7-4-8-16(15(13)19)10-12(9-14(16)18)11-5-2-1-3-6-11/h1-3,5-6,12,15,19H,4,7-10H2/t12-,15-,16+/m1/s1
InChIKeyBAHIRSTYRGDKLR-WQVCFCJDSA-N
XLogP2.23
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(4S,5S)-5-hydroxy-2,2-dimethyl-1,7-diphenyl-4-(trifluoromethyl)heptan-3-one
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CID 11369139

Frequently Asked Questions

What is the IUPAC name of (2S,5R,10S)-10-hydroxy-2-phenylspiro[4.5]decane-4,9-dione?
The IUPAC name of (2S,5R,10S)-10-hydroxy-2-phenylspiro[4.5]decane-4,9-dione (CID 139254967) is (2S,5R,10S)-10-hydroxy-2-phenylspiro[4.5]decane-4,9-dione.
What is the SMILES notation for (2S,5R,10S)-10-hydroxy-2-phenylspiro[4.5]decane-4,9-dione?
The canonical SMILES for (2S,5R,10S)-10-hydroxy-2-phenylspiro[4.5]decane-4,9-dione is O=C1CCC[C@@]2(C[C@H](c3ccccc3)CC2=O)[C@@H]1O.
What is the InChIKey of (2S,5R,10S)-10-hydroxy-2-phenylspiro[4.5]decane-4,9-dione?
The InChIKey is BAHIRSTYRGDKLR-WQVCFCJDSA-N. The full InChI is InChI=1S/C16H18O3/c17-13-7-4-8-16(15(13)19)10-12(9-14(16)18)11-5-2-1-3-6-11/h1-3,5-6,12,15,19H,4,7-10H2/t12-,15-,16+/m1/s1.
What are the key properties of (2S,5R,10S)-10-hydroxy-2-phenylspiro[4.5]decane-4,9-dione?
(2S,5R,10S)-10-hydroxy-2-phenylspiro[4.5]decane-4,9-dione has a molecular weight of 258.32 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R,10S)-10-hydroxy-2-phenylspiro[4.5]decane-4,9-dione is sourced from PubChem (CID 139254967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).