(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol

C15H22O3S — CID 104800791

IUPAC(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
SMILESCc1ccoc1C(O)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H22O3S/c1-11-2-6-17-14(11)13(16)12-3-7-18-15(10-12)4-8-19-9-5-15/h2,6,12-13,16H,3-5,7-10H2,1H3
InChIKeyRFEQEPYOBNPRFJ-UHFFFAOYSA-N
MW282.40 g/mol
LogP3.31
Rot. Bonds2

About (3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol

(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol (PubChem CID 104800791) has the molecular formula C15H22O3S and a molecular weight of 282.40 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
PubChem CID104800791
Molecular FormulaC15H22O3S
Molecular Weight282.40 g/mol
Exact Mass282.13
IUPAC Name(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
SMILESCc1ccoc1C(O)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H22O3S/c1-11-2-6-17-14(11)13(16)12-3-7-18-15(10-12)4-8-19-9-5-15/h2,6,12-13,16H,3-5,7-10H2,1H3
InChIKeyRFEQEPYOBNPRFJ-UHFFFAOYSA-N
XLogP3.31
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 104800788
(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 104804592
(2-methylfuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 113453316
1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-3-yl)methanol
CID 79900947
(2-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 114554117
(2-fluoro-4-methylphenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 115823530
(3-bromofuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 106886310
(3,4-dimethylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79912808
1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridazin-4-yl)methanol
CID 105116776
(2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 113453307
N-methyl-1-(3-methylfuran-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 104804989
2,2-dimethoxy-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79912513

Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol?
The IUPAC name of (3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol (CID 104800791) is (3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol.
What is the SMILES notation for (3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol?
The canonical SMILES for (3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol is Cc1ccoc1C(O)C1CCOC2(CCSCC2)C1.
What is the InChIKey of (3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol?
The InChIKey is RFEQEPYOBNPRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3S/c1-11-2-6-17-14(11)13(16)12-3-7-18-15(10-12)4-8-19-9-5-15/h2,6,12-13,16H,3-5,7-10H2,1H3.
What are the key properties of (3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol?
(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol has a molecular weight of 282.40 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol is sourced from PubChem (CID 104800791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).