[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol

C14H20O3 — CID 129389896

IUPAC[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol
SMILESOCc1ccc(CCO[C@H]2CCCCO2)cc1
InChIInChI=1S/C14H20O3/c15-11-13-6-4-12(5-7-13)8-10-17-14-3-1-2-9-16-14/h4-7,14-15H,1-3,8-11H2/t14-/m0/s1
InChIKeyAZXGGSINADBUCO-AWEZNQCLSA-N
MW236.31 g/mol
LogP2.26
Rot. Bonds5

About [4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol

[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol (PubChem CID 129389896) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is [4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol
PubChem CID129389896
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol
SMILESOCc1ccc(CCO[C@H]2CCCCO2)cc1
InChIInChI=1S/C14H20O3/c15-11-13-6-4-12(5-7-13)8-10-17-14-3-1-2-9-16-14/h4-7,14-15H,1-3,8-11H2/t14-/m0/s1
InChIKeyAZXGGSINADBUCO-AWEZNQCLSA-N
XLogP2.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(2S)-oxan-2-yl]oxyethyl]benzaldehyde
CID 86333516
2-chloro-4-[2-(oxan-2-yloxy)ethyl]phenol
CID 69449644
[1-[[4-[2-(oxan-2-yloxy)ethyl]phenyl]methyl]cyclopentyl]methanamine
CID 18999475
4-hydroxy-1-[4-[2-(oxan-2-yloxy)ethyl]phenyl]pyridin-2-one
CID 66873100
2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane
CID 118808170
2-[2-(4-bromophenyl)ethoxy]oxane;[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)silane
CID 159295209
2-[11-[4-(4-phenylphenyl)phenyl]undecoxy]oxane
CID 86055226
4-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-1-amine
CID 67378314
ditert-butyl-hydroxy-[4-[2-(oxan-2-yloxy)ethyl]phenyl]silane;2-[4-[ditert-butyl(hydroxy)silyl]phenyl]acetic acid
CID 160574472
4-[6-[(2R)-oxan-2-yl]oxyhexyl]pyridine
CID 129363635
4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine
CID 129363636
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol?
The IUPAC name of [4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol (CID 129389896) is [4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol.
What is the SMILES notation for [4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol?
The canonical SMILES for [4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol is OCc1ccc(CCO[C@H]2CCCCO2)cc1.
What is the InChIKey of [4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol?
The InChIKey is AZXGGSINADBUCO-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20O3/c15-11-13-6-4-12(5-7-13)8-10-17-14-3-1-2-9-16-14/h4-7,14-15H,1-3,8-11H2/t14-/m0/s1.
What are the key properties of [4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol?
[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol has a molecular weight of 236.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol is sourced from PubChem (CID 129389896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).