2-[4-(4-methoxyphenyl)phenyl]-1-morpholin-4-ylethanethione

C19H21NO2S — CID 7341191

IUPAC2-[4-(4-methoxyphenyl)phenyl]-1-morpholin-4-ylethanethione
SMILESCOc1ccc(-c2ccc(CC(=S)N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H21NO2S/c1-21-18-8-6-17(7-9-18)16-4-2-15(3-5-16)14-19(23)20-10-12-22-13-11-20/h2-9H,10-14H2,1H3
InChIKeyQRHGUDMYRDVTSG-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.56
Rot. Bonds4

About 2-[4-(4-methoxyphenyl)phenyl]-1-morpholin-4-ylethanethione

2-[4-(4-methoxyphenyl)phenyl]-1-morpholin-4-ylethanethione (PubChem CID 7341191) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)phenyl]-1-morpholin-4-ylethanethione.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)phenyl]-1-morpholin-4-ylethanethione
PubChem CID7341191
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name2-[4-(4-methoxyphenyl)phenyl]-1-morpholin-4-ylethanethione
SMILESCOc1ccc(-c2ccc(CC(=S)N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H21NO2S/c1-21-18-8-6-17(7-9-18)16-4-2-15(3-5-16)14-19(23)20-10-12-22-13-11-20/h2-9H,10-14H2,1H3
InChIKeyQRHGUDMYRDVTSG-UHFFFAOYSA-N
XLogP3.56
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
2-(4-methoxy-2-phenylmethoxyphenyl)-1-morpholin-4-ylethanethione
CID 151461762
1-morpholin-4-yl-2-(4-nitrophenyl)ethanethione
CID 46887259
(4-methoxyphenyl) morpholine-4-carbodithioate
CID 23907737
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
2-(4-methoxyphenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]acetamide
CID 110285557
(2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 54322087
[2-(4-methoxyphenyl)-2-oxoethyl] morpholine-4-carbodithioate
CID 24894420
1-[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-2-(4-methoxyphenyl)ethanone
CID 75411631
2-(4-methoxyphenyl)-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 126227474
2-(4-methoxyphenyl)-N-(morpholin-4-ylmethylcarbamoyl)acetamide
CID 134110294
2-(4-methoxyphenyl)acetic acid;oxolane
CID 67598100

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)phenyl]-1-morpholin-4-ylethanethione?
The IUPAC name of 2-[4-(4-methoxyphenyl)phenyl]-1-morpholin-4-ylethanethione (CID 7341191) is 2-[4-(4-methoxyphenyl)phenyl]-1-morpholin-4-ylethanethione.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)phenyl]-1-morpholin-4-ylethanethione?
The canonical SMILES for 2-[4-(4-methoxyphenyl)phenyl]-1-morpholin-4-ylethanethione is COc1ccc(-c2ccc(CC(=S)N3CCOCC3)cc2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)phenyl]-1-morpholin-4-ylethanethione?
The InChIKey is QRHGUDMYRDVTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-21-18-8-6-17(7-9-18)16-4-2-15(3-5-16)14-19(23)20-10-12-22-13-11-20/h2-9H,10-14H2,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)phenyl]-1-morpholin-4-ylethanethione?
2-[4-(4-methoxyphenyl)phenyl]-1-morpholin-4-ylethanethione has a molecular weight of 327.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)phenyl]-1-morpholin-4-ylethanethione is sourced from PubChem (CID 7341191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).