oxan-3-yl(thiophen-3-yl)methanol

C10H14O2S — CID 65099967

IUPACoxan-3-yl(thiophen-3-yl)methanol
SMILESOC(c1ccsc1)C1CCCOC1
InChIInChI=1S/C10H14O2S/c11-10(9-3-5-13-7-9)8-2-1-4-12-6-8/h3,5,7-8,10-11H,1-2,4,6H2
InChIKeyJVNSABCPLUEUTG-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.21
Rot. Bonds2

About oxan-3-yl(thiophen-3-yl)methanol

oxan-3-yl(thiophen-3-yl)methanol (PubChem CID 65099967) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is oxan-3-yl(thiophen-3-yl)methanol.

Molecular Properties

Compound Nameoxan-3-yl(thiophen-3-yl)methanol
PubChem CID65099967
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Nameoxan-3-yl(thiophen-3-yl)methanol
SMILESOC(c1ccsc1)C1CCCOC1
InChIInChI=1S/C10H14O2S/c11-10(9-3-5-13-7-9)8-2-1-4-12-6-8/h3,5,7-8,10-11H,1-2,4,6H2
InChIKeyJVNSABCPLUEUTG-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-(oxan-3-yl)methanol
CID 63015439
oxolan-2-yl(thiophen-3-yl)methanol
CID 65331077
(4-methylsulfanylphenyl)-(oxan-3-yl)methanol
CID 107136272
oxathian-3-yl(thiophen-3-yl)methanol
CID 156762536
(S)-cyclobutyl(thiophen-3-yl)methanamine
CID 96933189
(4-ethylphenyl)-(oxan-3-yl)methanol
CID 63014910
(3-aminophenyl)-(oxan-3-yl)methanol
CID 107136268
oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 63015264
(1R)-2-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 129335231
1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-3-yl)methanol
CID 79900947
(3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol
CID 79746537
[3-(methoxymethyl)phenyl]-(oxan-3-yl)methanol
CID 107135606

Frequently Asked Questions

What is the IUPAC name of oxan-3-yl(thiophen-3-yl)methanol?
The IUPAC name of oxan-3-yl(thiophen-3-yl)methanol (CID 65099967) is oxan-3-yl(thiophen-3-yl)methanol.
What is the SMILES notation for oxan-3-yl(thiophen-3-yl)methanol?
The canonical SMILES for oxan-3-yl(thiophen-3-yl)methanol is OC(c1ccsc1)C1CCCOC1.
What is the InChIKey of oxan-3-yl(thiophen-3-yl)methanol?
The InChIKey is JVNSABCPLUEUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c11-10(9-3-5-13-7-9)8-2-1-4-12-6-8/h3,5,7-8,10-11H,1-2,4,6H2.
What are the key properties of oxan-3-yl(thiophen-3-yl)methanol?
oxan-3-yl(thiophen-3-yl)methanol has a molecular weight of 198.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-yl(thiophen-3-yl)methanol is sourced from PubChem (CID 65099967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).