(5S,7S)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol

C14H18O2S — CID 11448088

IUPAC(5S,7S)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol
SMILESO[C@@]1(c2ccccc2)CCC[C@]2(C1)OCCS2
InChIInChI=1S/C14H18O2S/c15-13(12-5-2-1-3-6-12)7-4-8-14(11-13)16-9-10-17-14/h1-3,5-6,15H,4,7-11H2/t13-,14-/m0/s1
InChIKeyNFKQXEGNRHMIFM-KBPBESRZSA-N
MW250.36 g/mol
LogP2.91
Rot. Bonds1

About (5S,7S)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol

(5S,7S)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol (PubChem CID 11448088) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is (5S,7S)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol.

Molecular Properties

Compound Name(5S,7S)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol
PubChem CID11448088
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name(5S,7S)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol
SMILESO[C@@]1(c2ccccc2)CCC[C@]2(C1)OCCS2
InChIInChI=1S/C14H18O2S/c15-13(12-5-2-1-3-6-12)7-4-8-14(11-13)16-9-10-17-14/h1-3,5-6,15H,4,7-11H2/t13-,14-/m0/s1
InChIKeyNFKQXEGNRHMIFM-KBPBESRZSA-N
XLogP2.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol
CID 101117543
azane;1-phenylcyclobutan-1-ol
CID 175547532
(3R)-3-phenylthian-3-ol
CID 124510207
copper;1-phenylcyclohexan-1-ol
CID 174727157
ethane;1-phenylcyclohexan-1-ol
CID 144640846
ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 91262908
trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol
CID 15915235
8-phenyl-5-azoniaspiro[4.5]decan-8-ol
CID 15837498
trimethyl-(2-phenyl-1,3-oxathian-2-yl)silane
CID 100961605
1-(3-phenylphenyl)cyclobutan-1-ol
CID 174781910
4-(4-phenylphenyl)oxepan-4-ol
CID 65456076
4-(4-phenylphenyl)azepan-4-ol
CID 103982949

Frequently Asked Questions

What is the IUPAC name of (5S,7S)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol?
The IUPAC name of (5S,7S)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol (CID 11448088) is (5S,7S)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol.
What is the SMILES notation for (5S,7S)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol?
The canonical SMILES for (5S,7S)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol is O[C@@]1(c2ccccc2)CCC[C@]2(C1)OCCS2.
What is the InChIKey of (5S,7S)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol?
The InChIKey is NFKQXEGNRHMIFM-KBPBESRZSA-N. The full InChI is InChI=1S/C14H18O2S/c15-13(12-5-2-1-3-6-12)7-4-8-14(11-13)16-9-10-17-14/h1-3,5-6,15H,4,7-11H2/t13-,14-/m0/s1.
What are the key properties of (5S,7S)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol?
(5S,7S)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol has a molecular weight of 250.36 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol is sourced from PubChem (CID 11448088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).