2-[3-(2-hydroxyphenyl)thiomorpholin-3-yl]phenol

C16H17NO2S — CID 57033622

IUPAC2-[3-(2-hydroxyphenyl)thiomorpholin-3-yl]phenol
SMILESOc1ccccc1C1(c2ccccc2O)CSCCN1
InChIInChI=1S/C16H17NO2S/c18-14-7-3-1-5-12(14)16(11-20-10-9-17-16)13-6-2-4-8-15(13)19/h1-8,17-19H,9-11H2
InChIKeyCYZQWVFRYSXSOG-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.68
Rot. Bonds2

About 2-[3-(2-hydroxyphenyl)thiomorpholin-3-yl]phenol

2-[3-(2-hydroxyphenyl)thiomorpholin-3-yl]phenol (PubChem CID 57033622) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[3-(2-hydroxyphenyl)thiomorpholin-3-yl]phenol.

Molecular Properties

Compound Name2-[3-(2-hydroxyphenyl)thiomorpholin-3-yl]phenol
PubChem CID57033622
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2-[3-(2-hydroxyphenyl)thiomorpholin-3-yl]phenol
SMILESOc1ccccc1C1(c2ccccc2O)CSCCN1
InChIInChI=1S/C16H17NO2S/c18-14-7-3-1-5-12(14)16(11-20-10-9-17-16)13-6-2-4-8-15(13)19/h1-8,17-19H,9-11H2
InChIKeyCYZQWVFRYSXSOG-UHFFFAOYSA-N
XLogP2.68
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

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1-[2-(3-hydroxythian-3-yl)phenyl]ethanone
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2-hydroxybenzoic acid;thiomorpholine
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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyphenyl)thiomorpholin-3-yl]phenol?
The IUPAC name of 2-[3-(2-hydroxyphenyl)thiomorpholin-3-yl]phenol (CID 57033622) is 2-[3-(2-hydroxyphenyl)thiomorpholin-3-yl]phenol.
What is the SMILES notation for 2-[3-(2-hydroxyphenyl)thiomorpholin-3-yl]phenol?
The canonical SMILES for 2-[3-(2-hydroxyphenyl)thiomorpholin-3-yl]phenol is Oc1ccccc1C1(c2ccccc2O)CSCCN1.
What is the InChIKey of 2-[3-(2-hydroxyphenyl)thiomorpholin-3-yl]phenol?
The InChIKey is CYZQWVFRYSXSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-14-7-3-1-5-12(14)16(11-20-10-9-17-16)13-6-2-4-8-15(13)19/h1-8,17-19H,9-11H2.
What are the key properties of 2-[3-(2-hydroxyphenyl)thiomorpholin-3-yl]phenol?
2-[3-(2-hydroxyphenyl)thiomorpholin-3-yl]phenol has a molecular weight of 287.38 g/mol, XLogP of 2.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyphenyl)thiomorpholin-3-yl]phenol is sourced from PubChem (CID 57033622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).