(E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol

C18H21NO2S — CID 6438243

IUPAC(E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol
SMILESOC(/C=C(\c1ccccc1)c1cccs1)CN1CCOCC1
InChIInChI=1S/C18H21NO2S/c20-16(14-19-8-10-21-11-9-19)13-17(18-7-4-12-22-18)15-5-2-1-3-6-15/h1-7,12-13,16,20H,8-11,14H2/b17-13+
InChIKeyXCVLAEKZEZYUHF-GHRIWEEISA-N
MW315.44 g/mol
LogP2.87
Rot. Bonds5

About (E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol

(E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol (PubChem CID 6438243) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is (E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol
PubChem CID6438243
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name(E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol
SMILESOC(/C=C(\c1ccccc1)c1cccs1)CN1CCOCC1
InChIInChI=1S/C18H21NO2S/c20-16(14-19-8-10-21-11-9-19)13-17(18-7-4-12-22-18)15-5-2-1-3-6-15/h1-7,12-13,16,20H,8-11,14H2/b17-13+
InChIKeyXCVLAEKZEZYUHF-GHRIWEEISA-N
XLogP2.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

Tiemonium Iodide
CID 72142
4-[2-[(3E)-3-(thiophen-2-ylmethylidene)inden-1-yl]ethyl]morpholine
CID 118332431
Tiemonium
CID 5473
Morpholinium, 4-allyl-4-(3-hydroxy-3-phenyl-3-(2-thienyl)propyl)-, bromide
CID 200536
3-Buten-2-one, 1-morpholino-4-phenyl-4-(2-thienyl)-
CID 6433301
4-Morpholineethanol, alpha-(beta-(2-thienyl)styryl)-, hydrochloride
CID 6438242
1-Piperidineethanol, alpha-(beta-(2-thienyl)styryl)-, maleate
CID 6438264
2-[2-Hydroxyethyl-(2-phenyl-2-thiophen-2-ylethyl)amino]ethanol
CID 13822823
Tiemonium, (S)-
CID 44225879
(1S)-2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-1-phenylethanol
CID 121535298
4-[2-[3-(Thiophen-2-ylmethylidene)inden-1-yl]ethyl]morpholine
CID 123793719
4-[2-[2-[(4-Fluorophenyl)methyl]thiophen-3-yl]ethyl]morpholine
CID 141147864

Frequently Asked Questions

What is the IUPAC name of (E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol?
The IUPAC name of (E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol (CID 6438243) is (E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol.
What is the SMILES notation for (E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol?
The canonical SMILES for (E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol is OC(/C=C(\c1ccccc1)c1cccs1)CN1CCOCC1.
What is the InChIKey of (E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol?
The InChIKey is XCVLAEKZEZYUHF-GHRIWEEISA-N. The full InChI is InChI=1S/C18H21NO2S/c20-16(14-19-8-10-21-11-9-19)13-17(18-7-4-12-22-18)15-5-2-1-3-6-15/h1-7,12-13,16,20H,8-11,14H2/b17-13+.
What are the key properties of (E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol?
(E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol has a molecular weight of 315.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol is sourced from PubChem (CID 6438243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).