(7,9-diphenyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol

C20H22O3S — CID 19877251

IUPAC(7,9-diphenyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol
SMILESOCC1COC2(CC(c3ccccc3)SC(c3ccccc3)C2)O1
InChIInChI=1S/C20H22O3S/c21-13-17-14-22-20(23-17)11-18(15-7-3-1-4-8-15)24-19(12-20)16-9-5-2-6-10-16/h1-10,17-19,21H,11-14H2
InChIKeyRMENCBPIRBTXNL-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.10
Rot. Bonds3

About (7,9-diphenyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol

(7,9-diphenyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol (PubChem CID 19877251) has the molecular formula C20H22O3S and a molecular weight of 342.46 g/mol. Its IUPAC name is (7,9-diphenyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol.

Molecular Properties

Compound Name(7,9-diphenyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol
PubChem CID19877251
Molecular FormulaC20H22O3S
Molecular Weight342.46 g/mol
Exact Mass342.13
IUPAC Name(7,9-diphenyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol
SMILESOCC1COC2(CC(c3ccccc3)SC(c3ccccc3)C2)O1
InChIInChI=1S/C20H22O3S/c21-13-17-14-22-20(23-17)11-18(15-7-3-1-4-8-15)24-19(12-20)16-9-5-2-6-10-16/h1-10,17-19,21H,11-14H2
InChIKeyRMENCBPIRBTXNL-UHFFFAOYSA-N
XLogP4.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7,9-diphenyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol?
The IUPAC name of (7,9-diphenyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol (CID 19877251) is (7,9-diphenyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol.
What is the SMILES notation for (7,9-diphenyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol?
The canonical SMILES for (7,9-diphenyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol is OCC1COC2(CC(c3ccccc3)SC(c3ccccc3)C2)O1.
What is the InChIKey of (7,9-diphenyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol?
The InChIKey is RMENCBPIRBTXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3S/c21-13-17-14-22-20(23-17)11-18(15-7-3-1-4-8-15)24-19(12-20)16-9-5-2-6-10-16/h1-10,17-19,21H,11-14H2.
What are the key properties of (7,9-diphenyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol?
(7,9-diphenyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol has a molecular weight of 342.46 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7,9-diphenyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol is sourced from PubChem (CID 19877251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).