3-[2-amino-2-(thiolan-3-yl)ethoxy]phenol

C12H17NO2S — CID 117237357

IUPAC3-[2-amino-2-(thiolan-3-yl)ethoxy]phenol
SMILESNC(COc1cccc(O)c1)C1CCSC1
InChIInChI=1S/C12H17NO2S/c13-12(9-4-5-16-8-9)7-15-11-3-1-2-10(14)6-11/h1-3,6,9,12,14H,4-5,7-8,13H2
InChIKeyXZQMBZSHCMZDAD-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.85
Rot. Bonds4

About 3-[2-amino-2-(thiolan-3-yl)ethoxy]phenol

3-[2-amino-2-(thiolan-3-yl)ethoxy]phenol (PubChem CID 117237357) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-[2-amino-2-(thiolan-3-yl)ethoxy]phenol.

Molecular Properties

Compound Name3-[2-amino-2-(thiolan-3-yl)ethoxy]phenol
PubChem CID117237357
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name3-[2-amino-2-(thiolan-3-yl)ethoxy]phenol
SMILESNC(COc1cccc(O)c1)C1CCSC1
InChIInChI=1S/C12H17NO2S/c13-12(9-4-5-16-8-9)7-15-11-3-1-2-10(14)6-11/h1-3,6,9,12,14H,4-5,7-8,13H2
InChIKeyXZQMBZSHCMZDAD-UHFFFAOYSA-N
XLogP1.85
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-amino-2-cyclobutylethoxy)phenol
CID 117245581
2-(3-bromophenoxy)-1-(thian-4-yl)ethanamine
CID 117238803
(3-ethoxyphenyl)-(thiolan-3-yl)methanamine
CID 105173284
3-(3-amino-2-cyclohexylpropoxy)phenol
CID 117245987
3-(3-chlorophenoxy)-2-(thiolan-3-yl)propan-1-ol
CID 117237859
3-(2-cyclopentyl-2-hydroxyethoxy)phenol
CID 117245767
2-pyridin-3-yloxy-1-(thian-4-yl)ethanamine
CID 117238951
1-cyclopropyl-2-(3-ethylphenoxy)ethanamine
CID 63907502
3-(3-methoxyphenoxy)-2-(thiolan-3-yl)propanoic acid
CID 117238346
3-(2-cyclohexyl-3-hydroxypropoxy)phenol
CID 117245989
3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
CID 117239345
3-[2-amino-2-(4-methylphenyl)ethoxy]phenol
CID 117244597

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(thiolan-3-yl)ethoxy]phenol?
The IUPAC name of 3-[2-amino-2-(thiolan-3-yl)ethoxy]phenol (CID 117237357) is 3-[2-amino-2-(thiolan-3-yl)ethoxy]phenol.
What is the SMILES notation for 3-[2-amino-2-(thiolan-3-yl)ethoxy]phenol?
The canonical SMILES for 3-[2-amino-2-(thiolan-3-yl)ethoxy]phenol is NC(COc1cccc(O)c1)C1CCSC1.
What is the InChIKey of 3-[2-amino-2-(thiolan-3-yl)ethoxy]phenol?
The InChIKey is XZQMBZSHCMZDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c13-12(9-4-5-16-8-9)7-15-11-3-1-2-10(14)6-11/h1-3,6,9,12,14H,4-5,7-8,13H2.
What are the key properties of 3-[2-amino-2-(thiolan-3-yl)ethoxy]phenol?
3-[2-amino-2-(thiolan-3-yl)ethoxy]phenol has a molecular weight of 239.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(thiolan-3-yl)ethoxy]phenol is sourced from PubChem (CID 117237357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).