[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanethione

C19H19Cl2NO3S — CID 23961778

IUPAC[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanethione
SMILESCOc1cc(C(=S)N2CCOCC2)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H19Cl2NO3S/c1-23-18-11-14(19(26)22-6-8-24-9-7-22)3-5-17(18)25-12-13-2-4-15(20)16(21)10-13/h2-5,10-11H,6-9,12H2,1H3
InChIKeyJPPSABOCHIVJFN-UHFFFAOYSA-N
MW412.34 g/mol
LogP4.59
Rot. Bonds5

About [4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanethione

[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanethione (PubChem CID 23961778) has the molecular formula C19H19Cl2NO3S and a molecular weight of 412.34 g/mol. Its IUPAC name is [4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanethione.

Molecular Properties

Compound Name[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanethione
PubChem CID23961778
Molecular FormulaC19H19Cl2NO3S
Molecular Weight412.34 g/mol
Exact Mass411.05
IUPAC Name[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanethione
SMILESCOc1cc(C(=S)N2CCOCC2)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H19Cl2NO3S/c1-23-18-11-14(19(26)22-6-8-24-9-7-22)3-5-17(18)25-12-13-2-4-15(20)16(21)10-13/h2-5,10-11H,6-9,12H2,1H3
InChIKeyJPPSABOCHIVJFN-UHFFFAOYSA-N
XLogP4.59
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.34
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761
4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 6458100
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17294256
(1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate
CID 16501968
N-carbamothioyl-4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 132591182
(2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate
CID 16501974
2-[2-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 1284834
azepan-1-yl-(3-methoxy-4-phenylmethoxyphenyl)methanethione
CID 7369964
[2-methoxy-4-(morpholine-4-carbothioyl)phenyl] benzoate
CID 1102766
(4-benzylpiperazin-1-yl)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methanethione
CID 126374224
1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 4719426
4-[(3,4-dichlorophenyl)methoxy]-3-ethoxybenzenecarbothioamide
CID 20988291

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanethione?
The IUPAC name of [4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanethione (CID 23961778) is [4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanethione.
What is the SMILES notation for [4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanethione?
The canonical SMILES for [4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanethione is COc1cc(C(=S)N2CCOCC2)ccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanethione?
The InChIKey is JPPSABOCHIVJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO3S/c1-23-18-11-14(19(26)22-6-8-24-9-7-22)3-5-17(18)25-12-13-2-4-15(20)16(21)10-13/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of [4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanethione?
[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanethione has a molecular weight of 412.34 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanethione is sourced from PubChem (CID 23961778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).