(S)-oxan-4-yl(thiophen-2-yl)methanol

C10H14O2S — CID 129368530

IUPAC(S)-oxan-4-yl(thiophen-2-yl)methanol
SMILESO[C@H](c1cccs1)C1CCOCC1
InChIInChI=1S/C10H14O2S/c11-10(9-2-1-7-13-9)8-3-5-12-6-4-8/h1-2,7-8,10-11H,3-6H2/t10-/m0/s1
InChIKeyIPMRDHCMJHLRBM-JTQLQIEISA-N
MW198.29 g/mol
LogP2.21
Rot. Bonds2

About (S)-oxan-4-yl(thiophen-2-yl)methanol

(S)-oxan-4-yl(thiophen-2-yl)methanol (PubChem CID 129368530) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is (S)-oxan-4-yl(thiophen-2-yl)methanol.

Molecular Properties

Compound Name(S)-oxan-4-yl(thiophen-2-yl)methanol
PubChem CID129368530
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name(S)-oxan-4-yl(thiophen-2-yl)methanol
SMILESO[C@H](c1cccs1)C1CCOCC1
InChIInChI=1S/C10H14O2S/c11-10(9-2-1-7-13-9)8-3-5-12-6-4-8/h1-2,7-8,10-11H,3-6H2/t10-/m0/s1
InChIKeyIPMRDHCMJHLRBM-JTQLQIEISA-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

cyclopentyl(thiophen-2-yl)methanol
CID 43753540
oxolan-2-yl(thiophen-2-yl)methanol
CID 61087499
(3-methylcyclopentyl)-thiophen-2-ylmethanol
CID 65401338
1-(oxan-4-yl)-3-thiophen-2-ylpropan-1-ol
CID 65150255
2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 120784158
(4,5-dibromothiophen-2-yl)-(oxan-4-yl)methanol
CID 80535371
2-cyclobutyl-1-thiophen-2-ylethanol
CID 65456950
1-[(1R)-1-(oxan-4-yl)ethyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea
CID 97087338
N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide
CID 30971824
[4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol
CID 79134716
2-(thian-4-yl)-1-thiophen-2-ylethanol
CID 105079885
2,4,6-trimethyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzamide
CID 126855328

Frequently Asked Questions

What is the IUPAC name of (S)-oxan-4-yl(thiophen-2-yl)methanol?
The IUPAC name of (S)-oxan-4-yl(thiophen-2-yl)methanol (CID 129368530) is (S)-oxan-4-yl(thiophen-2-yl)methanol.
What is the SMILES notation for (S)-oxan-4-yl(thiophen-2-yl)methanol?
The canonical SMILES for (S)-oxan-4-yl(thiophen-2-yl)methanol is O[C@H](c1cccs1)C1CCOCC1.
What is the InChIKey of (S)-oxan-4-yl(thiophen-2-yl)methanol?
The InChIKey is IPMRDHCMJHLRBM-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14O2S/c11-10(9-2-1-7-13-9)8-3-5-12-6-4-8/h1-2,7-8,10-11H,3-6H2/t10-/m0/s1.
What are the key properties of (S)-oxan-4-yl(thiophen-2-yl)methanol?
(S)-oxan-4-yl(thiophen-2-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 (S)-oxan-4-yl(thiophen-2-yl)methanol is sourced from PubChem (CID 129368530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).