methyl 2-[4-[[4-[(2,5-dichlorophenyl)methoxy]phenyl]methylsulfanyl]-2-methylphenoxy]acetate

C24H22Cl2O4S — CID 20827023

IUPACmethyl 2-[4-[[4-[(2,5-dichlorophenyl)methoxy]phenyl]methylsulfanyl]-2-methylphenoxy]acetate
SMILESCOC(=O)COc1ccc(SCc2ccc(OCc3cc(Cl)ccc3Cl)cc2)cc1C
InChIInChI=1S/C24H22Cl2O4S/c1-16-11-21(8-10-23(16)30-14-24(27)28-2)31-15-17-3-6-20(7-4-17)29-13-18-12-19(25)5-9-22(18)26/h3-12H,13-15H2,1-2H3
InChIKeyUCFCYRZSYKTCNK-UHFFFAOYSA-N
MW477.41 g/mol
LogP6.72
Rot. Bonds9

About methyl 2-[4-[[4-[(2,5-dichlorophenyl)methoxy]phenyl]methylsulfanyl]-2-methylphenoxy]acetate

methyl 2-[4-[[4-[(2,5-dichlorophenyl)methoxy]phenyl]methylsulfanyl]-2-methylphenoxy]acetate (PubChem CID 20827023) has the molecular formula C24H22Cl2O4S and a molecular weight of 477.41 g/mol. Its IUPAC name is methyl 2-[4-[[4-[(2,5-dichlorophenyl)methoxy]phenyl]methylsulfanyl]-2-methylphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[4-[(2,5-dichlorophenyl)methoxy]phenyl]methylsulfanyl]-2-methylphenoxy]acetate
PubChem CID20827023
Molecular FormulaC24H22Cl2O4S
Molecular Weight477.41 g/mol
Exact Mass476.06
IUPAC Namemethyl 2-[4-[[4-[(2,5-dichlorophenyl)methoxy]phenyl]methylsulfanyl]-2-methylphenoxy]acetate
SMILESCOC(=O)COc1ccc(SCc2ccc(OCc3cc(Cl)ccc3Cl)cc2)cc1C
InChIInChI=1S/C24H22Cl2O4S/c1-16-11-21(8-10-23(16)30-14-24(27)28-2)31-15-17-3-6-20(7-4-17)29-13-18-12-19(25)5-9-22(18)26/h3-12H,13-15H2,1-2H3
InChIKeyUCFCYRZSYKTCNK-UHFFFAOYSA-N
XLogP6.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.41
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[[4-[(2,5-dichlorophenyl)methoxy]phenyl]methylsulfanyl]-2-methylphenoxy]acetate with MolForge

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Related Compounds

methyl 1-[4-[[4-[(2,5-dichlorophenyl)methoxy]phenyl]methylsulfanyl]phenyl]cyclopropane-1-carboxylate
CID 20770784
methyl 2-[4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylphenoxy]acetate
CID 20827031
methyl 2-[4-[[2-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]methylsulfanyl]-2-methylphenoxy]acetate
CID 90988024
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
(4-chloro-3-methylphenyl) 2-(4-chloro-2-methylphenoxy)acetate
CID 917935
methyl 2-(4-chloro-2-prop-2-enylphenoxy)acetate
CID 69275051
1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
CID 65317932
2-[4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]methylsulfanyl]-2-methylphenoxy]acetic acid
CID 22280076
methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 5312098
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
ethyl 2-[4-[2-chloro-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]sulfanyl-2-methylphenoxy]acetate
CID 20768114
ethyl 2-[4-[(3,5-dichlorophenyl)methylsulfanyl]phenoxy]acetate
CID 139927139

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[4-[(2,5-dichlorophenyl)methoxy]phenyl]methylsulfanyl]-2-methylphenoxy]acetate?
The IUPAC name of methyl 2-[4-[[4-[(2,5-dichlorophenyl)methoxy]phenyl]methylsulfanyl]-2-methylphenoxy]acetate (CID 20827023) is methyl 2-[4-[[4-[(2,5-dichlorophenyl)methoxy]phenyl]methylsulfanyl]-2-methylphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[4-[(2,5-dichlorophenyl)methoxy]phenyl]methylsulfanyl]-2-methylphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[4-[(2,5-dichlorophenyl)methoxy]phenyl]methylsulfanyl]-2-methylphenoxy]acetate is COC(=O)COc1ccc(SCc2ccc(OCc3cc(Cl)ccc3Cl)cc2)cc1C.
What is the InChIKey of methyl 2-[4-[[4-[(2,5-dichlorophenyl)methoxy]phenyl]methylsulfanyl]-2-methylphenoxy]acetate?
The InChIKey is UCFCYRZSYKTCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2O4S/c1-16-11-21(8-10-23(16)30-14-24(27)28-2)31-15-17-3-6-20(7-4-17)29-13-18-12-19(25)5-9-22(18)26/h3-12H,13-15H2,1-2H3.
What are the key properties of methyl 2-[4-[[4-[(2,5-dichlorophenyl)methoxy]phenyl]methylsulfanyl]-2-methylphenoxy]acetate?
methyl 2-[4-[[4-[(2,5-dichlorophenyl)methoxy]phenyl]methylsulfanyl]-2-methylphenoxy]acetate has a molecular weight of 477.41 g/mol, XLogP of 6.72, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[4-[(2,5-dichlorophenyl)methoxy]phenyl]methylsulfanyl]-2-methylphenoxy]acetate is sourced from PubChem (CID 20827023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).