1-[2-(3-hydroxyphenyl)morpholin-4-yl]-2-thiophen-2-ylethanone

C16H17NO3S — CID 71968440

IUPAC1-[2-(3-hydroxyphenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCOC(c2cccc(O)c2)C1
InChIInChI=1S/C16H17NO3S/c18-13-4-1-3-12(9-13)15-11-17(6-7-20-15)16(19)10-14-5-2-8-21-14/h1-5,8-9,15,18H,6-7,10-11H2
InChIKeySTMZFOSYSANWJM-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.60
Rot. Bonds3

About 1-[2-(3-hydroxyphenyl)morpholin-4-yl]-2-thiophen-2-ylethanone

1-[2-(3-hydroxyphenyl)morpholin-4-yl]-2-thiophen-2-ylethanone (PubChem CID 71968440) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-[2-(3-hydroxyphenyl)morpholin-4-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[2-(3-hydroxyphenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
PubChem CID71968440
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name1-[2-(3-hydroxyphenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCOC(c2cccc(O)c2)C1
InChIInChI=1S/C16H17NO3S/c18-13-4-1-3-12(9-13)15-11-17(6-7-20-15)16(19)10-14-5-2-8-21-14/h1-5,8-9,15,18H,6-7,10-11H2
InChIKeySTMZFOSYSANWJM-UHFFFAOYSA-N
XLogP2.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxyphenyl)morpholin-4-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[2-(3-hydroxyphenyl)morpholin-4-yl]-2-thiophen-2-ylethanone (CID 71968440) is 1-[2-(3-hydroxyphenyl)morpholin-4-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[2-(3-hydroxyphenyl)morpholin-4-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[2-(3-hydroxyphenyl)morpholin-4-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCOC(c2cccc(O)c2)C1.
What is the InChIKey of 1-[2-(3-hydroxyphenyl)morpholin-4-yl]-2-thiophen-2-ylethanone?
The InChIKey is STMZFOSYSANWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-13-4-1-3-12(9-13)15-11-17(6-7-20-15)16(19)10-14-5-2-8-21-14/h1-5,8-9,15,18H,6-7,10-11H2.
What are the key properties of 1-[2-(3-hydroxyphenyl)morpholin-4-yl]-2-thiophen-2-ylethanone?
1-[2-(3-hydroxyphenyl)morpholin-4-yl]-2-thiophen-2-ylethanone has a molecular weight of 303.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxyphenyl)morpholin-4-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 71968440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).