[2-[(4-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione

C18H18ClNO2S — CID 4291255

IUPAC[2-[(4-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione
SMILESS=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C18H18ClNO2S/c19-15-7-5-14(6-8-15)13-22-17-4-2-1-3-16(17)18(23)20-9-11-21-12-10-20/h1-8H,9-13H2
InChIKeyBFEBZKIJEHXXNG-UHFFFAOYSA-N
MW347.87 g/mol
LogP3.93
Rot. Bonds4

About [2-[(4-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione

[2-[(4-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione (PubChem CID 4291255) has the molecular formula C18H18ClNO2S and a molecular weight of 347.87 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione
PubChem CID4291255
Molecular FormulaC18H18ClNO2S
Molecular Weight347.87 g/mol
Exact Mass347.07
IUPAC Name[2-[(4-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione
SMILESS=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C18H18ClNO2S/c19-15-7-5-14(6-8-15)13-22-17-4-2-1-3-16(17)18(23)20-9-11-21-12-10-20/h1-8H,9-13H2
InChIKeyBFEBZKIJEHXXNG-UHFFFAOYSA-N
XLogP3.93
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 53.93
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

[2-[(4-fluorophenyl)methoxy]phenyl]-pyrrolidin-1-ylmethanethione
CID 838528
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]benzonitrile
CID 17465828
(4-ethylpiperazin-4-ium-1-yl)-[2-[(4-methylphenyl)methoxy]phenyl]methanethione
CID 2202688
(2-morpholin-4-yl-2-oxoethyl) 2-phenylmethoxybenzoate
CID 2365991
(4-benzylpiperazin-1-yl)-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 7964644
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
(4-chlorophenyl)-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 46550478
(4-benzylpiperazin-4-ium-1-yl)-[2-[(4-methylphenyl)methoxy]phenyl]methanethione
CID 2203511
[2-[(4-chlorophenyl)methoxy]phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561822
1-[2-[(4-chlorophenyl)methoxy]phenyl]-2-hydroxyethanone
CID 141334810
[(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 119411536

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione?
The IUPAC name of [2-[(4-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione (CID 4291255) is [2-[(4-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione.
What is the SMILES notation for [2-[(4-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione?
The canonical SMILES for [2-[(4-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione is S=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of [2-[(4-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione?
The InChIKey is BFEBZKIJEHXXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2S/c19-15-7-5-14(6-8-15)13-22-17-4-2-1-3-16(17)18(23)20-9-11-21-12-10-20/h1-8H,9-13H2.
What are the key properties of [2-[(4-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione?
[2-[(4-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione has a molecular weight of 347.87 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione is sourced from PubChem (CID 4291255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).