[2-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol

C15H17NO3S — CID 99697878

IUPAC[2-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol
SMILESOCc1ccccc1OCc1csc([C@@H]2CCCO2)n1
InChIInChI=1S/C15H17NO3S/c17-8-11-4-1-2-5-13(11)19-9-12-10-20-15(16-12)14-6-3-7-18-14/h1-2,4-5,10,14,17H,3,6-9H2/t14-/m0/s1
InChIKeyLMXZHQLVZGEAOK-AWEZNQCLSA-N
MW291.37 g/mol
LogP3.07
Rot. Bonds5

About [2-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol

[2-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol (PubChem CID 99697878) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is [2-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol
PubChem CID99697878
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name[2-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol
SMILESOCc1ccccc1OCc1csc([C@@H]2CCCO2)n1
InChIInChI=1S/C15H17NO3S/c17-8-11-4-1-2-5-13(11)19-9-12-10-20-15(16-12)14-6-3-7-18-14/h1-2,4-5,10,14,17H,3,6-9H2/t14-/m0/s1
InChIKeyLMXZHQLVZGEAOK-AWEZNQCLSA-N
XLogP3.07
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol?
The IUPAC name of [2-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol (CID 99697878) is [2-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol.
What is the SMILES notation for [2-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol?
The canonical SMILES for [2-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol is OCc1ccccc1OCc1csc([C@@H]2CCCO2)n1.
What is the InChIKey of [2-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol?
The InChIKey is LMXZHQLVZGEAOK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17NO3S/c17-8-11-4-1-2-5-13(11)19-9-12-10-20-15(16-12)14-6-3-7-18-14/h1-2,4-5,10,14,17H,3,6-9H2/t14-/m0/s1.
What are the key properties of [2-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol?
[2-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol has a molecular weight of 291.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol is sourced from PubChem (CID 99697878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).