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

C18H22ClNO2S — CID 6438242

IUPAC(E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol;hydrochloride
SMILESCl.OC(/C=C(\c1ccccc1)c1cccs1)CN1CCOCC1
InChIInChI=1S/C18H21NO2S.ClH/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;1H/b17-13+;
InChIKeyWQULYLKYCDPWRS-IWSIBTJSSA-N
MW351.90 g/mol
LogP3.29
Rot. Bonds5

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

(E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol;hydrochloride (PubChem CID 6438242) has the molecular formula C18H22ClNO2S and a molecular weight of 351.90 g/mol. Its IUPAC name is (E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol;hydrochloride.

Molecular Properties

Compound Name(E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol;hydrochloride
PubChem CID6438242
Molecular FormulaC18H22ClNO2S
Molecular Weight351.90 g/mol
Exact Mass351.11
IUPAC Name(E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol;hydrochloride
SMILESCl.OC(/C=C(\c1ccccc1)c1cccs1)CN1CCOCC1
InChIInChI=1S/C18H21NO2S.ClH/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;1H/b17-13+;
InChIKeyWQULYLKYCDPWRS-IWSIBTJSSA-N
XLogP3.29
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.90
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

Tiemonium
CID 5473
3-Buten-2-one, 1-morpholino-4-phenyl-4-(2-thienyl)-
CID 6433301
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-[2-[(4-Fluorophenyl)methyl]thiophen-3-yl]ethyl]morpholine
CID 141147864
alpha-Phenyl-alpha-2-thienylmorpholinepropan-1-ol
CID 12624911
(1S)-3-morpholin-4-yl-1-phenyl-1-thiophen-2-ylpropan-1-ol
CID 44225436
4-[3-Hydroxy-3-phenyl-3-(2-thienyl)-propyl]-4-methyl-morpholiniumhydroxid
CID 129669912
1-Phenyl-3-(4-prop-2-enylmorpholin-4-ium-4-yl)-1-thiophen-2-ylpropan-1-ol
CID 200537
(E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol
CID 6438243

Frequently Asked Questions

What is the IUPAC name of (E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol;hydrochloride?
The IUPAC name of (E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol;hydrochloride (CID 6438242) is (E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol;hydrochloride.
What is the SMILES notation for (E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol;hydrochloride?
The canonical SMILES for (E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol;hydrochloride is Cl.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;hydrochloride?
The InChIKey is WQULYLKYCDPWRS-IWSIBTJSSA-N. The full InChI is InChI=1S/C18H21NO2S.ClH/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;1H/b17-13+;.
What are the key properties of (E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol;hydrochloride?
(E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol;hydrochloride has a molecular weight of 351.90 g/mol, XLogP of 3.29, 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;hydrochloride is sourced from PubChem (CID 6438242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).