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

C14H18O2S — CID 101117543

IUPAC(5R)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol
SMILESOC1(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-/m1/s1
InChIKeyNFKQXEGNRHMIFM-ARLHGKGLSA-N
MW250.36 g/mol
LogP2.91
Rot. Bonds1

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

(5R)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol (PubChem CID 101117543) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is (5R)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol.

Molecular Properties

Compound Name(5R)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol
PubChem CID101117543
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name(5R)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol
SMILESOC1(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-/m1/s1
InChIKeyNFKQXEGNRHMIFM-ARLHGKGLSA-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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Frequently Asked Questions

What is the IUPAC name of (5R)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol?
The IUPAC name of (5R)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol (CID 101117543) is (5R)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol.
What is the SMILES notation for (5R)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol?
The canonical SMILES for (5R)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol is OC1(c2ccccc2)CCC[C@@]2(C1)OCCS2.
What is the InChIKey of (5R)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol?
The InChIKey is NFKQXEGNRHMIFM-ARLHGKGLSA-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-/m1/s1.
What are the key properties of (5R)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol?
(5R)-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 (5R)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol is sourced from PubChem (CID 101117543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).