2-(4-methoxy-2-phenylmethoxyphenyl)-1-morpholin-4-ylethanethione

C20H23NO3S — CID 151461762

IUPAC2-(4-methoxy-2-phenylmethoxyphenyl)-1-morpholin-4-ylethanethione
SMILESCOc1ccc(CC(=S)N2CCOCC2)c(OCc2ccccc2)c1
InChIInChI=1S/C20H23NO3S/c1-22-18-8-7-17(13-20(25)21-9-11-23-12-10-21)19(14-18)24-15-16-5-3-2-4-6-16/h2-8,14H,9-13,15H2,1H3
InChIKeyPIPIHCSGDCUPGG-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.48
Rot. Bonds6

About 2-(4-methoxy-2-phenylmethoxyphenyl)-1-morpholin-4-ylethanethione

2-(4-methoxy-2-phenylmethoxyphenyl)-1-morpholin-4-ylethanethione (PubChem CID 151461762) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-(4-methoxy-2-phenylmethoxyphenyl)-1-morpholin-4-ylethanethione.

Molecular Properties

Compound Name2-(4-methoxy-2-phenylmethoxyphenyl)-1-morpholin-4-ylethanethione
PubChem CID151461762
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name2-(4-methoxy-2-phenylmethoxyphenyl)-1-morpholin-4-ylethanethione
SMILESCOc1ccc(CC(=S)N2CCOCC2)c(OCc2ccccc2)c1
InChIInChI=1S/C20H23NO3S/c1-22-18-8-7-17(13-20(25)21-9-11-23-12-10-21)19(14-18)24-15-16-5-3-2-4-6-16/h2-8,14H,9-13,15H2,1H3
InChIKeyPIPIHCSGDCUPGG-UHFFFAOYSA-N
XLogP3.48
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.48
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

2-[4-(4-methoxyphenyl)phenyl]-1-morpholin-4-ylethanethione
CID 7341191
(4-hydroxy-2-methoxyphenyl)-morpholin-4-ylmethanone;(2-methoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone
CID 157370853
3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid
CID 71348441
1-[(4-methoxy-2-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 39331813
4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene
CID 68966556
[4-methoxy-2-(2-methylsulfanylethoxy)phenyl]-morpholin-4-ylmethanethione
CID 54471594
2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene
CID 139826525
(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352745
4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine
CID 170870322
4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine
CID 130178723
1-[4-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 61268156
(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-phenylmethoxyphenyl)-1-morpholin-4-ylethanethione?
The IUPAC name of 2-(4-methoxy-2-phenylmethoxyphenyl)-1-morpholin-4-ylethanethione (CID 151461762) is 2-(4-methoxy-2-phenylmethoxyphenyl)-1-morpholin-4-ylethanethione.
What is the SMILES notation for 2-(4-methoxy-2-phenylmethoxyphenyl)-1-morpholin-4-ylethanethione?
The canonical SMILES for 2-(4-methoxy-2-phenylmethoxyphenyl)-1-morpholin-4-ylethanethione is COc1ccc(CC(=S)N2CCOCC2)c(OCc2ccccc2)c1.
What is the InChIKey of 2-(4-methoxy-2-phenylmethoxyphenyl)-1-morpholin-4-ylethanethione?
The InChIKey is PIPIHCSGDCUPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-22-18-8-7-17(13-20(25)21-9-11-23-12-10-21)19(14-18)24-15-16-5-3-2-4-6-16/h2-8,14H,9-13,15H2,1H3.
What are the key properties of 2-(4-methoxy-2-phenylmethoxyphenyl)-1-morpholin-4-ylethanethione?
2-(4-methoxy-2-phenylmethoxyphenyl)-1-morpholin-4-ylethanethione has a molecular weight of 357.48 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-phenylmethoxyphenyl)-1-morpholin-4-ylethanethione is sourced from PubChem (CID 151461762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).